(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid

C22H26N2O3 — CID 119367273

IUPAC(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyPFBZJEGSRPHPJK-HXUWFJFHSA-N
MW366.46 g/mol
LogP2.71
Rot. Bonds7

About (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119367273) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119367273
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyPFBZJEGSRPHPJK-HXUWFJFHSA-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-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid (CID 119367273) is (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is PFBZJEGSRPHPJK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(23-20(22(26)27)15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(1-benzylpiperidine-4-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-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).