(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone

C14H14ClN3O — CID 55185515

IUPAC(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCCC(Cl)C1
InChIInChI=1S/C14H14ClN3O/c15-11-2-1-7-18(9-11)14(19)10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8,11H,1-2,7,9H2
InChIKeyWSTIJAYVGSASFA-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.47
Rot. Bonds1

About (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone

(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone (PubChem CID 55185515) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
PubChem CID55185515
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCCC(Cl)C1
InChIInChI=1S/C14H14ClN3O/c15-11-2-1-7-18(9-11)14(19)10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8,11H,1-2,7,9H2
InChIKeyWSTIJAYVGSASFA-UHFFFAOYSA-N
XLogP2.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(3-bromo-4-chlorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 107993582

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone (CID 55185515) is (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone?
The InChIKey is WSTIJAYVGSASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-2-1-7-18(9-11)14(19)10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8,11H,1-2,7,9H2.
What are the key properties of (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone?
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone has a molecular weight of 275.74 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 55185515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).