N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

C22H28ClN3O2 — CID 119488269

IUPACN-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-23-19-13-8-14-25(16-19)22(27)20(15-17-9-4-2-5-10-17)24-21(26)18-11-6-3-7-12-18;/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,26);1H
InChIKeyLFQIXBGRVMNPPU-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.66
Rot. Bonds6

About N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (PubChem CID 119488269) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
PubChem CID119488269
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-23-19-13-8-14-25(16-19)22(27)20(15-17-9-4-2-5-10-17)24-21(26)18-11-6-3-7-12-18;/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,26);1H
InChIKeyLFQIXBGRVMNPPU-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
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CID 51730216
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119635457
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119635458
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
CID 119044825
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (CID 119488269) is N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is CNC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The InChIKey is LFQIXBGRVMNPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-23-19-13-8-14-25(16-19)22(27)20(15-17-9-4-2-5-10-17)24-21(26)18-11-6-3-7-12-18;/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,26);1H.
What are the key properties of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119488269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).