1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one

C82H122N8O10 — CID 158449458

IUPAC1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCCC1.CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCOCC1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C21H30N2O3.C21H32N2O2.C20H30N2O3.C20H30N2O2/c1-17-6-4-13-22(17)14-5-15-26-19-10-8-18(9-11-19)20(24)16-23-12-3-2-7-21(23)25;1-17-7-5-14-22(17)15-6-16-25-20-10-8-19(9-11-20)21(24)18(2)23-12-3-4-13-23;1-17(22-12-15-24-16-13-22)20(23)18-5-7-19(8-6-18)25-14-4-11-21-9-2-3-10-21;1-17(22-14-4-5-15-22)20(23)18-7-9-19(10-8-18)24-16-6-13-21-11-2-3-12-21/h8-11,17H,2-7,12-16H2,1H3;8-11,17-18H,3-7,12-16H2,1-2H3;5-8,17H,2-4,9-16H2,1H3;7-10,17H,2-6,11-16H2,1H3/t17-;;;/m1.../s1
InChIKeyHDUNAFCSTOODFG-NMRXSTGRSA-N
MW1379.92 g/mol
LogP12.41
Rot. Bonds32

About 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one

1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one (PubChem CID 158449458) has the molecular formula C82H122N8O10 and a molecular weight of 1379.92 g/mol. Its IUPAC name is 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
PubChem CID158449458
Molecular FormulaC82H122N8O10
Molecular Weight1379.92 g/mol
Exact Mass1378.93
IUPAC Name1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCCC1.CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCOCC1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C21H30N2O3.C21H32N2O2.C20H30N2O3.C20H30N2O2/c1-17-6-4-13-22(17)14-5-15-26-19-10-8-18(9-11-19)20(24)16-23-12-3-2-7-21(23)25;1-17-7-5-14-22(17)15-6-16-25-20-10-8-19(9-11-20)21(24)18(2)23-12-3-4-13-23;1-17(22-12-15-24-16-13-22)20(23)18-5-7-19(8-6-18)25-14-4-11-21-9-2-3-10-21;1-17(22-14-4-5-15-22)20(23)18-7-9-19(10-8-18)24-16-6-13-21-11-2-3-12-21/h8-11,17H,2-7,12-16H2,1H3;8-11,17-18H,3-7,12-16H2,1-2H3;5-8,17H,2-4,9-16H2,1H3;7-10,17H,2-6,11-16H2,1H3/t17-;;;/m1.../s1
InChIKeyHDUNAFCSTOODFG-NMRXSTGRSA-N
XLogP12.41
TPSA157.42 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.92
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one (CID 158449458) is 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one is CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCCC1.CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCOCC1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCCC2=O)cc1.
What is the InChIKey of 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?
The InChIKey is HDUNAFCSTOODFG-NMRXSTGRSA-N. The full InChI is InChI=1S/C21H30N2O3.C21H32N2O2.C20H30N2O3.C20H30N2O2/c1-17-6-4-13-22(17)14-5-15-26-19-10-8-18(9-11-19)20(24)16-23-12-3-2-7-21(23)25;1-17-7-5-14-22(17)15-6-16-25-20-10-8-19(9-11-20)21(24)18(2)23-12-3-4-13-23;1-17(22-12-15-24-16-13-22)20(23)18-5-7-19(8-6-18)25-14-4-11-21-9-2-3-10-21;1-17(22-14-4-5-15-22)20(23)18-7-9-19(10-8-18)24-16-6-13-21-11-2-3-12-21/h8-11,17H,2-7,12-16H2,1H3;8-11,17-18H,3-7,12-16H2,1-2H3;5-8,17H,2-4,9-16H2,1H3;7-10,17H,2-6,11-16H2,1H3/t17-;;;/m1.../s1.
What are the key properties of 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one has a molecular weight of 1379.92 g/mol, XLogP of 12.41, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 158449458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).