N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride

C16H33ClN2O — CID 119306124

IUPACN-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCCN(C(=O)C1CCCNC1)C(C)CCC.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-4-6-7-12-18(14(3)9-5-2)16(19)15-10-8-11-17-13-15;/h14-15,17H,4-13H2,1-3H3;1H
InChIKeyGIYIQDXINAZZSX-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.62
Rot. Bonds8

About N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride

N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119306124) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
PubChem CID119306124
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC NameN-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCCN(C(=O)C1CCCNC1)C(C)CCC.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-4-6-7-12-18(14(3)9-5-2)16(19)15-10-8-11-17-13-15;/h14-15,17H,4-13H2,1-3H3;1H
InChIKeyGIYIQDXINAZZSX-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
CID 61162075
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140319
(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
2-[pentan-2-yl(pentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975571

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride (CID 119306124) is N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride is CCCCCN(C(=O)C1CCCNC1)C(C)CCC.Cl.
What is the InChIKey of N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GIYIQDXINAZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-4-6-7-12-18(14(3)9-5-2)16(19)15-10-8-11-17-13-15;/h14-15,17H,4-13H2,1-3H3;1H.
What are the key properties of N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride?
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119306124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).