N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H32ClN3O2 — CID 119780835

IUPACN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(Cc1ccccc1)C(=O)N(C)C)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-15(17-9-11-21-12-10-17)13-19(24)22-18(20(25)23(2)3)14-16-7-5-4-6-8-16;/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,24);1H
InChIKeyDWSPISTXSAFRPP-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.25
Rot. Bonds7

About N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119780835) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119780835
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(Cc1ccccc1)C(=O)N(C)C)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-15(17-9-11-21-12-10-17)13-19(24)22-18(20(25)23(2)3)14-16-7-5-4-6-8-16;/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,24);1H
InChIKeyDWSPISTXSAFRPP-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
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-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119780835) is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NC(Cc1ccccc1)C(=O)N(C)C)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is DWSPISTXSAFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-15(17-9-11-21-12-10-17)13-19(24)22-18(20(25)23(2)3)14-16-7-5-4-6-8-16;/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).