3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one

C22H28N2O2 — CID 56702357

IUPAC3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-22(26,18-23-17-20-11-5-2-6-12-20)14-8-16-24(21)15-7-13-19-9-3-1-4-10-19/h1-6,9-12,23,26H,7-8,13-18H2
InChIKeySKHBFTJAZMYZRG-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.76
Rot. Bonds8

About 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one

3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 56702357) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
PubChem CID56702357
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-22(26,18-23-17-20-11-5-2-6-12-20)14-8-16-24(21)15-7-13-19-9-3-1-4-10-19/h1-6,9-12,23,26H,7-8,13-18H2
InChIKeySKHBFTJAZMYZRG-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-allyl-2-hydroxy-4-penten-1-yl)-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide
CID 23723653
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 54733177
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817290
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
3-[(Cyclopentylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45248885
1-(2,3-Difluorobenzyl)-3-{[(3-fluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45227864
N-benzyl-1-(cyclohexylmethyl)-6-oxo-3-piperidinecarboxamide
CID 24790143
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
3-[(Benzylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45180101
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-methyl-2-propen-1-yl)amino]methyl}-2-piperidinone
CID 45181479

Frequently Asked Questions

What is the IUPAC name of 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (CID 56702357) is 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one is O=C1N(CCCc2ccccc2)CCCC1(O)CNCc1ccccc1.
What is the InChIKey of 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is SKHBFTJAZMYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-22(26,18-23-17-20-11-5-2-6-12-20)14-8-16-24(21)15-7-13-19-9-3-1-4-10-19/h1-6,9-12,23,26H,7-8,13-18H2.
What are the key properties of 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 56702357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).