1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride

C22H34ClN3O2 — CID 119621206

IUPAC1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H33N3O2.ClH/c26-21(24-15-14-23-20-12-6-1-2-7-13-20)19-11-8-16-25(17-19)22(27)18-9-4-3-5-10-18;/h3-5,9-10,19-20,23H,1-2,6-8,11-17H2,(H,24,26);1H
InChIKeyCQTVRNYDDQXYKX-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.39
Rot. Bonds6

About 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride

1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119621206) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119621206
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H33N3O2.ClH/c26-21(24-15-14-23-20-12-6-1-2-7-13-20)19-11-8-16-25(17-19)22(27)18-9-4-3-5-10-18;/h3-5,9-10,19-20,23H,1-2,6-8,11-17H2,(H,24,26);1H
InChIKeyCQTVRNYDDQXYKX-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.39
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

3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-benzoyl-N-[(1-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 111333032
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119621206) is 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is CQTVRNYDDQXYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2.ClH/c26-21(24-15-14-23-20-12-6-1-2-7-13-20)19-11-8-16-25(17-19)22(27)18-9-4-3-5-10-18;/h3-5,9-10,19-20,23H,1-2,6-8,11-17H2,(H,24,26);1H.
What are the key properties of 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119621206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).