(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide

C13H27N3O — CID 120635200

IUPAC(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H27N3O/c1-10(2)16(4)8-7-15-13(17)12-5-6-14-11(3)9-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyYFNSSFJYKBSOEH-RYUDHWBXSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 120635200) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
PubChem CID120635200
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H27N3O/c1-10(2)16(4)8-7-15-13(17)12-5-6-14-11(3)9-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyYFNSSFJYKBSOEH-RYUDHWBXSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635209
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
4-ethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 114428936
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 114006821

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide (CID 120635200) is (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide is CC(C)N(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is YFNSSFJYKBSOEH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)16(4)8-7-15-13(17)12-5-6-14-11(3)9-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120635200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).