(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide

C14H27N3O — CID 125119897

IUPAC(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESC[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2)CCN1C
InChIInChI=1S/C14H27N3O/c1-11-10-12(7-9-16(11)2)17(3)14(18)13-6-4-5-8-15-13/h11-13,15H,4-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyGLOAGJCUJXZTHD-FRRDWIJNSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds2

About (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide

(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 125119897) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
PubChem CID125119897
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESC[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2)CCN1C
InChIInChI=1S/C14H27N3O/c1-11-10-12(7-9-16(11)2)17(3)14(18)13-6-4-5-8-15-13/h11-13,15H,4-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyGLOAGJCUJXZTHD-FRRDWIJNSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 124693314
(2R)-N-methyl-N-(1-methylpiperidin-3-yl)piperidine-2-carboxamide
CID 104913856
N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 122148359
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 61447107
N-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 43611075
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
N-methyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 121203607
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848
(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
CID 93456348
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide (CID 125119897) is (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide is C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2)CCN1C.
What is the InChIKey of (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is GLOAGJCUJXZTHD-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-10-12(7-9-16(11)2)17(3)14(18)13-6-4-5-8-15-13/h11-13,15H,4-10H2,1-3H3/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide?
(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 125119897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).