(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide

C14H26N2O2 — CID 90175661

IUPAC(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@H]1CCCCN1C)C(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-10(2)13(11(3)17)15-14(18)12-8-6-7-9-16(12)4/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t10?,12-,13+/m1/s1
InChIKeyXDUFXYJUGOLJQM-SOYIIFOFSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds5

About (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide

(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide (PubChem CID 90175661) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
PubChem CID90175661
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@H]1CCCCN1C)C(C)=O
InChIInChI=1S/C14H26N2O2/c1-5-10(2)13(11(3)17)15-14(18)12-8-6-7-9-16(12)4/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t10?,12-,13+/m1/s1
InChIKeyXDUFXYJUGOLJQM-SOYIIFOFSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 144755354
benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
CID 59515941
N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 144693572
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2R)-N-[(2S)-1-[[(3R)-1-(4-formyl-1,3-thiazol-2-yl)-4-methylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 90195877
N-[(2S)-1-[[(E,3S)-6-(diethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650245
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 70338404
ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhept-2-enoate
CID 90688418
N-[(2S)-1-[[(3S)-6-(dimethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 91424496

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide (CID 90175661) is (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide is CCC(C)[C@H](NC(=O)[C@H]1CCCCN1C)C(C)=O.
What is the InChIKey of (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide?
The InChIKey is XDUFXYJUGOLJQM-SOYIIFOFSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-10(2)13(11(3)17)15-14(18)12-8-6-7-9-16(12)4/h10,12-13H,5-9H2,1-4H3,(H,15,18)/t10?,12-,13+/m1/s1.
What are the key properties of (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide?
(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 90175661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).