N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H29ClN2O — CID 119705827

IUPACN-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-17(15-8-5-4-6-9-15)20-18(21)12-14(2)16-10-7-11-19-13-16;/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21);1H
InChIKeyJKYYPHBFOJFVJY-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.70
Rot. Bonds6

About N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119705827) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119705827
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-17(15-8-5-4-6-9-15)20-18(21)12-14(2)16-10-7-11-19-13-16;/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21);1H
InChIKeyJKYYPHBFOJFVJY-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119890773
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119705827) is N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is CCC(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is JKYYPHBFOJFVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-3-17(15-8-5-4-6-9-15)20-18(21)12-14(2)16-10-7-11-19-13-16;/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119705827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).