N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H35ClN2O — CID 119724260

IUPACN-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCC1CCCCC1)C1CCCNC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-15(17-10-6-11-19-14-17)13-18(21)20-12-5-9-16-7-3-2-4-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H
InChIKeyVCGRXDIHYQHMHM-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.91
Rot. Bonds7

About N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119724260) has the molecular formula C18H35ClN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119724260
Molecular FormulaC18H35ClN2O
Molecular Weight330.94 g/mol
Exact Mass330.24
IUPAC NameN-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCC1CCCCC1)C1CCCNC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-15(17-10-6-11-19-14-17)13-18(21)20-12-5-9-16-7-3-2-4-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H
InChIKeyVCGRXDIHYQHMHM-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119724260) is N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCCCC1CCCCC1)C1CCCNC1.Cl.
What is the InChIKey of N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VCGRXDIHYQHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.ClH/c1-15(17-10-6-11-19-14-17)13-18(21)20-12-5-9-16-7-3-2-4-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 330.94 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).