[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone

C18H19N5O — CID 96577616

IUPAC[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C18H19N5O/c1-22-10-8-21-17(22)14-3-2-9-23(12-14)18(24)13-4-5-15-16(11-13)20-7-6-19-15/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1
InChIKeyFTNIQJQJYUENTA-CQSZACIVSA-N
MW321.38 g/mol
LogP2.38
Rot. Bonds2

About [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 96577616) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID96577616
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C18H19N5O/c1-22-10-8-21-17(22)14-3-2-9-23(12-14)18(24)13-4-5-15-16(11-13)20-7-6-19-15/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1
InChIKeyFTNIQJQJYUENTA-CQSZACIVSA-N
XLogP2.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
4-cyclopropyl-2-(2-methoxyethyl)-5-[1-(quinoxaline-6-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 121115896
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 96577616) is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone is Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1.
What is the InChIKey of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is FTNIQJQJYUENTA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-10-8-21-17(22)14-3-2-9-23(12-14)18(24)13-4-5-15-16(11-13)20-7-6-19-15/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone?
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 96577616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).