1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C15H22N4O2 — CID 16781124

IUPAC1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyPILVBOYRKLNLRK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds4

About 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 16781124) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID16781124
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyPILVBOYRKLNLRK-UHFFFAOYSA-N
XLogP0.79
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
1-[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530599
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 16781124) is 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CC(C(=O)Nc1ccc(N)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is PILVBOYRKLNLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16781124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).