(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

C19H24N4O3 — CID 97208184

IUPAC(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H24N4O3/c1-22(12-15-10-20-16-7-3-4-8-17(16)21-15)19(25)14-6-5-9-23(11-14)18(24)13-26-2/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyKFKRKKJCEUBCQF-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.47
Rot. Bonds5

About (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97208184) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97208184
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H24N4O3/c1-22(12-15-10-20-16-7-3-4-8-17(16)21-15)19(25)14-6-5-9-23(11-14)18(24)13-26-2/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyKFKRKKJCEUBCQF-AWEZNQCLSA-N
XLogP1.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 72862355
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72927509
(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 97207631
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
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
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide
CID 91835005
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (CID 97208184) is (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is COCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KFKRKKJCEUBCQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(12-15-10-20-16-7-3-4-8-17(16)21-15)19(25)14-6-5-9-23(11-14)18(24)13-26-2/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97208184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).