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

C22H26N2O3 — CID 119254948

IUPAC3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(23-15-20(22(26)27)18-9-5-2-6-10-18)19-11-13-24(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27)
InChIKeyYNPDAZXOXXKCQE-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.88
Rot. Bonds7

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

3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 119254948) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID119254948
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(23-15-20(22(26)27)18-9-5-2-6-10-18)19-11-13-24(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27)
InChIKeyYNPDAZXOXXKCQE-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid (CID 119254948) is 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is YNPDAZXOXXKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(23-15-20(22(26)27)18-9-5-2-6-10-18)19-11-13-24(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,23,25)(H,26,27).
What are the key properties of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid?
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 119254948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).