1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C21H31N3O3 — CID 37461440

IUPAC1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)N(C)C(C)C)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15(2)23(4)21(27)18-9-12-24(13-10-18)14-11-20(26)22-19-7-5-17(6-8-19)16(3)25/h5-8,15,18H,9-14H2,1-4H3,(H,22,26)
InChIKeyRSAIASYESNFVSK-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.80
Rot. Bonds7

About 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 37461440) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID37461440
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)N(C)C(C)C)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15(2)23(4)21(27)18-9-12-24(13-10-18)14-11-20(26)22-19-7-5-17(6-8-19)16(3)25/h5-8,15,18H,9-14H2,1-4H3,(H,22,26)
InChIKeyRSAIASYESNFVSK-UHFFFAOYSA-N
XLogP2.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-(4-acetylphenyl)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 31932540
N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538
N-(4-acetylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919130
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 37210805
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 37461440) is 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)N(C)C(C)C)CC2)cc1.
What is the InChIKey of 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RSAIASYESNFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(2)23(4)21(27)18-9-12-24(13-10-18)14-11-20(26)22-19-7-5-17(6-8-19)16(3)25/h5-8,15,18H,9-14H2,1-4H3,(H,22,26).
What are the key properties of 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 37461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).