methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate

C16H19N3O2 — CID 133326631

IUPACmethyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C)C1
InChIInChI=1S/C16H19N3O2/c1-11-15(18-14-8-4-3-7-13(14)17-11)19-9-5-6-12(10-19)16(20)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRRDJFYKKLKUIRT-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds2

About methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate

methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate (PubChem CID 133326631) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
PubChem CID133326631
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C)C1
InChIInChI=1S/C16H19N3O2/c1-11-15(18-14-8-4-3-7-13(14)17-11)19-9-5-6-12(10-19)16(20)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRRDJFYKKLKUIRT-LBPRGKRZSA-N
XLogP2.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate (CID 133326631) is methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C)C1.
What is the InChIKey of methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate?
The InChIKey is RRDJFYKKLKUIRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-15(18-14-8-4-3-7-13(14)17-11)19-9-5-6-12(10-19)16(20)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate?
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 133326631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).