(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide

C13H26N2O — CID 120627601

IUPAC(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
SMILESCCCC(CC)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H26N2O/c1-4-6-12(5-2)15-13(16)11-7-8-14-10(3)9-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10-,11-,12?/m0/s1
InChIKeyRLSUSSQCTNKDDI-NDQFZYFBSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide

(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide (PubChem CID 120627601) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
PubChem CID120627601
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
SMILESCCCC(CC)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H26N2O/c1-4-6-12(5-2)15-13(16)11-7-8-14-10(3)9-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10-,11-,12?/m0/s1
InChIKeyRLSUSSQCTNKDDI-NDQFZYFBSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide (CID 120627601) is (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide is CCCC(CC)NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide?
The InChIKey is RLSUSSQCTNKDDI-NDQFZYFBSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-12(5-2)15-13(16)11-7-8-14-10(3)9-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10-,11-,12?/m0/s1.
What are the key properties of (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120627601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).