(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C21H29N5O — CID 125162811

IUPAC(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC[C@@H]3CN3CCCC3)cc2nc1C
InChIInChI=1S/C21H29N5O/c1-15-16(2)23-20-13-17(8-9-19(20)22-15)24-21(27)26-12-4-3-7-18(26)14-25-10-5-6-11-25/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyKNHAGBSIHOWHHO-GOSISDBHSA-N
MW367.50 g/mol
LogP3.73
Rot. Bonds3

About (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 125162811) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID125162811
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC[C@@H]3CN3CCCC3)cc2nc1C
InChIInChI=1S/C21H29N5O/c1-15-16(2)23-20-13-17(8-9-19(20)22-15)24-21(27)26-12-4-3-7-18(26)14-25-10-5-6-11-25/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyKNHAGBSIHOWHHO-GOSISDBHSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2S)-N-[4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 70646416
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylphenyl)azepane-1-carboxamide
CID 91919808
N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 125162811) is (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3CN3CCCC3)cc2nc1C.
What is the InChIKey of (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is KNHAGBSIHOWHHO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-16(2)23-20-13-17(8-9-19(20)22-15)24-21(27)26-12-4-3-7-18(26)14-25-10-5-6-11-25/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125162811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).