(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

C21H27N5O2 — CID 72862355

IUPAC(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c1-25(14-17-13-23-18-6-2-3-7-19(18)24-17)20(27)15-10-16(12-22-11-15)21(28)26-8-4-5-9-26/h2-3,6-7,13,15-16,22H,4-5,8-12,14H2,1H3/t15-,16+/m1/s1
InChIKeyFKZWKOZNNOWGTH-CVEARBPZSA-N
MW381.48 g/mol
LogP1.44
Rot. Bonds4

About (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 72862355) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID72862355
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c1-25(14-17-13-23-18-6-2-3-7-19(18)24-17)20(27)15-10-16(12-22-11-15)21(28)26-8-4-5-9-26/h2-3,6-7,13,15-16,22H,4-5,8-12,14H2,1H3/t15-,16+/m1/s1
InChIKeyFKZWKOZNNOWGTH-CVEARBPZSA-N
XLogP1.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 97208184
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
(3R,5S)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 72882710
3-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-1-(quinoxalin-2-ylmethyl)urea
CID 119072487
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 156604820
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
CID 131903776
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133133235
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
1-cyclopropyl-2-quinoxalin-2-ylethanone
CID 63355169

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (CID 72862355) is (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FKZWKOZNNOWGTH-CVEARBPZSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(14-17-13-23-18-6-2-3-7-19(18)24-17)20(27)15-10-16(12-22-11-15)21(28)26-8-4-5-9-26/h2-3,6-7,13,15-16,22H,4-5,8-12,14H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72862355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).