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

C13H25N3O — CID 124693314

IUPAC(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2)CCN1C
InChIInChI=1S/C13H25N3O/c1-10-9-11(6-8-15(10)2)16(3)13(17)12-5-4-7-14-12/h10-12,14H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyAXKMUMQEDFZDRL-TUAOUCFPSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

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

(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 124693314) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID124693314
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2)CCN1C
InChIInChI=1S/C13H25N3O/c1-10-9-11(6-8-15(10)2)16(3)13(17)12-5-4-7-14-12/h10-12,14H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyAXKMUMQEDFZDRL-TUAOUCFPSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 125119897
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 61447107
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 122148359
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
(2R)-N-methyl-N-(1-methylpiperidin-3-yl)piperidine-2-carboxamide
CID 104913856
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
N-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 43611075
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 124693314) is (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide is C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2)CCN1C.
What is the InChIKey of (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AXKMUMQEDFZDRL-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-9-11(6-8-15(10)2)16(3)13(17)12-5-4-7-14-12/h10-12,14H,4-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124693314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).