1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide

C15H21N3O — CID 112558444

IUPAC1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NN3CCCCC3)CC2)cc1
InChIInChI=1S/C15H21N3O/c16-13-6-4-12(5-7-13)15(8-9-15)14(19)17-18-10-2-1-3-11-18/h4-7H,1-3,8-11,16H2,(H,17,19)
InChIKeyPYQDYENWZXIXFD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide (PubChem CID 112558444) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide
PubChem CID112558444
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NN3CCCCC3)CC2)cc1
InChIInChI=1S/C15H21N3O/c16-13-6-4-12(5-7-13)15(8-9-15)14(19)17-18-10-2-1-3-11-18/h4-7H,1-3,8-11,16H2,(H,17,19)
InChIKeyPYQDYENWZXIXFD-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
CID 106188279
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide (CID 112558444) is 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NN3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide?
The InChIKey is PYQDYENWZXIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-6-4-12(5-7-13)15(8-9-15)14(19)17-18-10-2-1-3-11-18/h4-7H,1-3,8-11,16H2,(H,17,19).
What are the key properties of 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 112558444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).