N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C20H33ClN2O — CID 119772626

IUPACN-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCCC(Cc1ccccc1)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-3-7-19(15-17-8-5-4-6-9-17)22-20(23)14-16(2)18-10-12-21-13-11-18;/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23);1H
InChIKeyQSOYNEMNVOJFSU-UHFFFAOYSA-N
MW352.95 g/mol
LogP3.96
Rot. Bonds8

About N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119772626) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119772626
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC NameN-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCCC(Cc1ccccc1)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-3-7-19(15-17-8-5-4-6-9-17)22-20(23)14-16(2)18-10-12-21-13-11-18;/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23);1H
InChIKeyQSOYNEMNVOJFSU-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119772626) is N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CCCC(Cc1ccccc1)NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QSOYNEMNVOJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-3-7-19(15-17-8-5-4-6-9-17)22-20(23)14-16(2)18-10-12-21-13-11-18;/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119772626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).