(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid

C19H26N2O4 — CID 119364584

IUPAC(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(=O)N(C)C1c1ccccc1)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12(2)11-15(19(24)25)20-18(23)14-9-10-16(22)21(3)17(14)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,20,23)(H,24,25)/t14?,15-,17?/m1/s1
InChIKeyKWTHAXZUOUNFML-ISXOHVOVSA-N
MW346.43 g/mol
LogP2.21
Rot. Bonds6

About (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid (PubChem CID 119364584) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
PubChem CID119364584
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(=O)N(C)C1c1ccccc1)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12(2)11-15(19(24)25)20-18(23)14-9-10-16(22)21(3)17(14)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,20,23)(H,24,25)/t14?,15-,17?/m1/s1
InChIKeyKWTHAXZUOUNFML-ISXOHVOVSA-N
XLogP2.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
CID 119364620
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 108786803

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid (CID 119364584) is (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)C1CCC(=O)N(C)C1c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is KWTHAXZUOUNFML-ISXOHVOVSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)11-15(19(24)25)20-18(23)14-9-10-16(22)21(3)17(14)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,20,23)(H,24,25)/t14?,15-,17?/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119364584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).