N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide

C20H25N5O3 — CID 167861986

IUPACN-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCC(n3cc(C)cn3)CC2)c1
InChIInChI=1S/C20H25N5O3/c1-14-11-22-25(13-14)18-6-8-24(9-7-18)20(28)19(27)21-12-16-4-3-5-17(10-16)23-15(2)26/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyBQRRBGATYXWORV-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.63
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide

N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167861986) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167861986
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCC(n3cc(C)cn3)CC2)c1
InChIInChI=1S/C20H25N5O3/c1-14-11-22-25(13-14)18-6-8-24(9-7-18)20(28)19(27)21-12-16-4-3-5-17(10-16)23-15(2)26/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyBQRRBGATYXWORV-UHFFFAOYSA-N
XLogP1.63
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166227798
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 126772873
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
N-[3-[[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]phenyl]acetamide
CID 111734233
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
CID 166185682
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide (CID 167861986) is N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide is CC(=O)Nc1cccc(CNC(=O)C(=O)N2CCC(n3cc(C)cn3)CC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is BQRRBGATYXWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-11-22-25(13-14)18-6-8-24(9-7-18)20(28)19(27)21-12-16-4-3-5-17(10-16)23-15(2)26/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,27)(H,23,26).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 383.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167861986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).