N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119424821

IUPACN-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NC1CCCNC1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c25-20(17-10-5-2-6-11-17)24-19(14-16-8-3-1-4-9-16)21(26)23-18-12-7-13-22-15-18;/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,26)(H,24,25);1H
InChIKeyKHGYMOLRTHICBF-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.32
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride

N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride (PubChem CID 119424821) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
PubChem CID119424821
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NC1CCCNC1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c25-20(17-10-5-2-6-11-17)24-19(14-16-8-3-1-4-9-16)21(26)23-18-12-7-13-22-15-18;/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,26)(H,24,25);1H
InChIKeyKHGYMOLRTHICBF-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-piperidin-3-ylbenzamide
CID 22017045
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 120555687
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride (CID 119424821) is N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride is Cl.O=C(NC(Cc1ccccc1)C(=O)NC1CCCNC1)c1ccccc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride?
The InChIKey is KHGYMOLRTHICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c25-20(17-10-5-2-6-11-17)24-19(14-16-8-3-1-4-9-16)21(26)23-18-12-7-13-22-15-18;/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,26)(H,24,25);1H.
What are the key properties of N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride?
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119424821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).