(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C22H30N4O3 — CID 129420371

IUPAC(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C22H30N4O3/c1-2-12-29-22-20(24-18-9-3-4-10-19(18)25-22)26-11-5-7-16(15-26)21(27)23-14-17-8-6-13-28-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,23,27)/t16-,17-/m1/s1
InChIKeyPIMVUOWYDYAGLE-IAGOWNOFSA-N
MW398.51 g/mol
LogP2.93
Rot. Bonds7

About (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 129420371) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID129420371
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C22H30N4O3/c1-2-12-29-22-20(24-18-9-3-4-10-19(18)25-22)26-11-5-7-16(15-26)21(27)23-14-17-8-6-13-28-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,23,27)/t16-,17-/m1/s1
InChIKeyPIMVUOWYDYAGLE-IAGOWNOFSA-N
XLogP2.93
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752891
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
(3S)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95059143
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 129420371) is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1.
What is the InChIKey of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is PIMVUOWYDYAGLE-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-12-29-22-20(24-18-9-3-4-10-19(18)25-22)26-11-5-7-16(15-26)21(27)23-14-17-8-6-13-28-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,23,27)/t16-,17-/m1/s1.
What are the key properties of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 129420371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).