(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide

C21H24N2O3 — CID 118738129

IUPAC(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCCN1C(=O)COc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-20(16-26-18-11-5-2-6-12-18)23-14-8-7-13-19(23)21(25)22-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,22,25)/t19-/m1/s1
InChIKeyXFTRMWRAPFMOTC-LJQANCHMSA-N
MW352.43 g/mol
LogP2.76
Rot. Bonds6

About (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide

(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide (PubChem CID 118738129) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
PubChem CID118738129
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCCN1C(=O)COc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-20(16-26-18-11-5-2-6-12-18)23-14-8-7-13-19(23)21(25)22-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,22,25)/t19-/m1/s1
InChIKeyXFTRMWRAPFMOTC-LJQANCHMSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-1-(2-phenoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90824752
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50829069
N-benzyl-2-[(2S)-2-(2-phenoxyacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 66779045
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016
(2S)-N-benzyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110305940

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide (CID 118738129) is (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCCCN1C(=O)COc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide?
The InChIKey is XFTRMWRAPFMOTC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(16-26-18-11-5-2-6-12-18)23-14-8-7-13-19(23)21(25)22-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide?
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 118738129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).