1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide

C109H129FIN11O17S — CID 161213997

IUPAC1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.CCC(=O)N1CCC(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1.CCc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1.COc1ccc(OC)c(NC(=O)C2CCN(C(C)=O)CC2)c1.O=C(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1.O=C(Cc1ccc(I)cc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O2.C20H22N2O3S.C18H18FNO3.C18H18INO3.C16H22N2O4.C16H22N2O2/c1-4-21(26)23-11-9-18(10-12-23)20(25)14-17-5-7-19(8-6-17)24-16(3)13-15(2)22-24;1-14(23)21-17-6-4-15(5-7-17)13-18(24)16-8-10-22(11-9-16)20(25)19-3-2-12-26-19;2*19-15-5-3-13(4-6-15)12-16(21)14-7-9-20(10-8-14)18(22)17-2-1-11-23-17;1-11(19)18-8-6-12(7-9-18)16(20)17-14-10-13(21-2)4-5-15(14)22-3;1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h5-8,13,18H,4,9-12,14H2,1-3H3;2-7,12,16H,8-11,13H2,1H3,(H,21,23);2*1-6,11,14H,7-10,12H2;4-5,10,12H,6-9H2,1-3H3,(H,17,20);4-6,11,14H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyUWPPEIUKJISYDC-UHFFFAOYSA-N
MW2043.26 g/mol
LogP17.60
Rot. Bonds25

About 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide

1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 161213997) has the molecular formula C109H129FIN11O17S and a molecular weight of 2043.26 g/mol. Its IUPAC name is 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide
PubChem CID161213997
Molecular FormulaC109H129FIN11O17S
Molecular Weight2043.26 g/mol
Exact Mass2041.83
IUPAC Name1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.CCC(=O)N1CCC(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1.CCc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1.COc1ccc(OC)c(NC(=O)C2CCN(C(C)=O)CC2)c1.O=C(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1.O=C(Cc1ccc(I)cc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O2.C20H22N2O3S.C18H18FNO3.C18H18INO3.C16H22N2O4.C16H22N2O2/c1-4-21(26)23-11-9-18(10-12-23)20(25)14-17-5-7-19(8-6-17)24-16(3)13-15(2)22-24;1-14(23)21-17-6-4-15(5-7-17)13-18(24)16-8-10-22(11-9-16)20(25)19-3-2-12-26-19;2*19-15-5-3-13(4-6-15)12-16(21)14-7-9-20(10-8-14)18(22)17-2-1-11-23-17;1-11(19)18-8-6-12(7-9-18)16(20)17-14-10-13(21-2)4-5-15(14)22-3;1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h5-8,13,18H,4,9-12,14H2,1-3H3;2-7,12,16H,8-11,13H2,1H3,(H,21,23);2*1-6,11,14H,7-10,12H2;4-5,10,12H,6-9H2,1-3H3,(H,17,20);4-6,11,14H,3,7-10H2,1-2H3,(H,17,20)
InChIKeyUWPPEIUKJISYDC-UHFFFAOYSA-N
XLogP17.60
TPSA340.00 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.26
LogP ≤ 517.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide (CID 161213997) is 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.CCC(=O)N1CCC(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1.CCc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1.COc1ccc(OC)c(NC(=O)C2CCN(C(C)=O)CC2)c1.O=C(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1.O=C(Cc1ccc(I)cc1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is UWPPEIUKJISYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.C20H22N2O3S.C18H18FNO3.C18H18INO3.C16H22N2O4.C16H22N2O2/c1-4-21(26)23-11-9-18(10-12-23)20(25)14-17-5-7-19(8-6-17)24-16(3)13-15(2)22-24;1-14(23)21-17-6-4-15(5-7-17)13-18(24)16-8-10-22(11-9-16)20(25)19-3-2-12-26-19;2*19-15-5-3-13(4-6-15)12-16(21)14-7-9-20(10-8-14)18(22)17-2-1-11-23-17;1-11(19)18-8-6-12(7-9-18)16(20)17-14-10-13(21-2)4-5-15(14)22-3;1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h5-8,13,18H,4,9-12,14H2,1-3H3;2-7,12,16H,8-11,13H2,1H3,(H,21,23);2*1-6,11,14H,7-10,12H2;4-5,10,12H,6-9H2,1-3H3,(H,17,20);4-6,11,14H,3,7-10H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide?
1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 2043.26 g/mol, XLogP of 17.60, 25 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 161213997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).