N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride

C19H29ClN2O — CID 119810163

IUPACN-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC1CC1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15(17-9-11-20-12-10-17)13-19(22)21(14-16-7-8-16)18-5-3-2-4-6-18;/h2-6,15-17,20H,7-14H2,1H3;1H
InChIKeyLNOVAVWXILHQFA-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.88
Rot. Bonds6

About N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride

N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119810163) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119810163
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC1CC1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15(17-9-11-20-12-10-17)13-19(22)21(14-16-7-8-16)18-5-3-2-4-6-18;/h2-6,15-17,20H,7-14H2,1H3;1H
InChIKeyLNOVAVWXILHQFA-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119762815
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119810163) is N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(CC1CC1)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is LNOVAVWXILHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-15(17-9-11-20-12-10-17)13-19(22)21(14-16-7-8-16)18-5-3-2-4-6-18;/h2-6,15-17,20H,7-14H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119810163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).