1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide

C19H29N3O2 — CID 119287815

IUPAC1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17-7-5-15(14-20)6-8-17/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23)
InChIKeyRVODLSLAWHZSGB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.30
Rot. Bonds7

About 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide

1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 119287815) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
PubChem CID119287815
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17-7-5-15(14-20)6-8-17/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23)
InChIKeyRVODLSLAWHZSGB-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 56817809
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 55819361
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881072
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide (CID 119287815) is 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is RVODLSLAWHZSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-3-4-11-21-18(23)16-9-12-22(13-10-16)19(24)17-7-5-15(14-20)6-8-17/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23).
What are the key properties of 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide?
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 119287815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).