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

C16H22N2O3 — CID 115867052

IUPAC3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CCNC(C(=O)NC(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-7-8-17-14(9-11)16(21)18-13(10-15(19)20)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIZDWLJLVYCYIIV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds5

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

3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 115867052) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID115867052
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CCNC(C(=O)NC(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-7-8-17-14(9-11)16(21)18-13(10-15(19)20)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIZDWLJLVYCYIIV-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperidine-2-carboxamide
CID 114423032
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
CID 114423675
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
3-[(2-methyloxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512412
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid (CID 115867052) is 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid is CC1CCNC(C(=O)NC(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is IZDWLJLVYCYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-8-17-14(9-11)16(21)18-13(10-15(19)20)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid?
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 115867052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).