(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid

C22H26N2O3 — CID 119367101

IUPAC(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,26,27)/t19?,20-/m1/s1
InChIKeyMVXGWWFYCLZXHV-GFOWMXPYSA-N
MW366.46 g/mol
LogP2.71
Rot. Bonds7

About (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119367101) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119367101
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,26,27)/t19?,20-/m1/s1
InChIKeyMVXGWWFYCLZXHV-GFOWMXPYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 119367101) is (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is MVXGWWFYCLZXHV-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,25)(H,26,27)/t19?,20-/m1/s1.
What are the key properties of (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).