4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid

C17H22N2O4 — CID 119201075

IUPAC4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESCN1CCC(C(=O)NC(CCC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H22N2O4/c1-19-10-9-13(11-15(19)20)17(23)18-14(7-8-16(21)22)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyCCZZCAYKCOQEFW-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.58
Rot. Bonds6

About 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid

4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid (PubChem CID 119201075) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
PubChem CID119201075
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESCN1CCC(C(=O)NC(CCC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H22N2O4/c1-19-10-9-13(11-15(19)20)17(23)18-14(7-8-16(21)22)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyCCZZCAYKCOQEFW-UHFFFAOYSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid (CID 119201075) is 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid is CN1CCC(C(=O)NC(CCC(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid?
The InChIKey is CCZZCAYKCOQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-19-10-9-13(11-15(19)20)17(23)18-14(7-8-16(21)22)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid?
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).