3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide

C17H25N3O — CID 119846678

IUPAC3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-5-3-4-13(12-14)17(21)19-15-8-10-20(11-9-15)16-6-1-2-7-16/h3-5,12,15-16H,1-2,6-11,18H2,(H,19,21)
InChIKeyHYPABXSJNITAPV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide

3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide (PubChem CID 119846678) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
PubChem CID119846678
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-5-3-4-13(12-14)17(21)19-15-8-10-20(11-9-15)16-6-1-2-7-16/h3-5,12,15-16H,1-2,6-11,18H2,(H,19,21)
InChIKeyHYPABXSJNITAPV-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.41
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

3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
CID 119862941

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide?
The IUPAC name of 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide (CID 119846678) is 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide is Nc1cccc(C(=O)NC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide?
The InChIKey is HYPABXSJNITAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-14-5-3-4-13(12-14)17(21)19-15-8-10-20(11-9-15)16-6-1-2-7-16/h3-5,12,15-16H,1-2,6-11,18H2,(H,19,21).
What are the key properties of 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide?
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide has a molecular weight of 287.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide is sourced from PubChem (CID 119846678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).