1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide

C15H22N4O2 — CID 16788588

IUPAC1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N4O2/c16-12-5-1-2-6-13(12)18-14(20)7-9-19-8-3-4-11(10-19)15(17)21/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,21)(H,18,20)
InChIKeyIXCDVABQRPWKMO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds5

About 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide

1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 16788588) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID16788588
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N4O2/c16-12-5-1-2-6-13(12)18-14(20)7-9-19-8-3-4-11(10-19)15(17)21/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,21)(H,18,20)
InChIKeyIXCDVABQRPWKMO-UHFFFAOYSA-N
XLogP0.79
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(2-aminophenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797111
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 61434163
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide (CID 16788588) is 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCC(=O)Nc2ccccc2N)C1.
What is the InChIKey of 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is IXCDVABQRPWKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-12-5-1-2-6-13(12)18-14(20)7-9-19-8-3-4-11(10-19)15(17)21/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide?
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 16788588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).