1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide

C23H30N2O2 — CID 94013477

IUPAC1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-8-6-7-11-22(18)27-17-19(2)24-23(26)21-12-14-25(15-13-21)16-20-9-4-3-5-10-20/h3-11,19,21H,12-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyXUYDBJMAORVZND-IBGZPJMESA-N
MW366.51 g/mol
LogP3.79
Rot. Bonds7

About 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide

1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 94013477) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
PubChem CID94013477
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-8-6-7-11-22(18)27-17-19(2)24-23(26)21-12-14-25(15-13-21)16-20-9-4-3-5-10-20/h3-11,19,21H,12-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyXUYDBJMAORVZND-IBGZPJMESA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide
CID 132654892
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46765429
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 94013477) is 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is XUYDBJMAORVZND-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-8-6-7-11-22(18)27-17-19(2)24-23(26)21-12-14-25(15-13-21)16-20-9-4-3-5-10-20/h3-11,19,21H,12-17H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94013477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).