3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride

C22H28ClN3O2 — CID 119044825

IUPAC3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
SMILESCl.NCc1cccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27N3O2.ClH/c23-16-18-10-7-11-19(14-18)21(26)24-20(15-17-8-3-1-4-9-17)22(27)25-12-5-2-6-13-25;/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16,23H2,(H,24,26);1H
InChIKeySGTDVYYRFLXTKI-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.92
Rot. Bonds6

About 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride

3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride (PubChem CID 119044825) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
PubChem CID119044825
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
SMILESCl.NCc1cccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27N3O2.ClH/c23-16-18-10-7-11-19(14-18)21(26)24-20(15-17-8-3-1-4-9-17)22(27)25-12-5-2-6-13-25;/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16,23H2,(H,24,26);1H
InChIKeySGTDVYYRFLXTKI-UHFFFAOYSA-N
XLogP2.92
TPSA75.43 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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate
CID 7689318
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
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
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride (CID 119044825) is 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride is Cl.NCc1cccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride?
The InChIKey is SGTDVYYRFLXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c23-16-18-10-7-11-19(14-18)21(26)24-20(15-17-8-3-1-4-9-17)22(27)25-12-5-2-6-13-25;/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16,23H2,(H,24,26);1H.
What are the key properties of 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride?
3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119044825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).