(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone

C14H14ClN3O — CID 113433257

IUPAC(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC(Cl)CC1
InChIInChI=1S/C14H14ClN3O/c15-10-4-8-18(9-5-10)14(19)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyPRGARQJBUYBRIF-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.47
Rot. Bonds1

About (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone

(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone (PubChem CID 113433257) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
PubChem CID113433257
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC(Cl)CC1
InChIInChI=1S/C14H14ClN3O/c15-10-4-8-18(9-5-10)14(19)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyPRGARQJBUYBRIF-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

1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-5-ylmethanone
CID 104615703
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone
CID 91908253
2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
CID 116681422
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone?
The IUPAC name of (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone (CID 113433257) is (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone?
The InChIKey is PRGARQJBUYBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-4-8-18(9-5-10)14(19)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone?
(4-chloropiperidin-1-yl)-quinoxalin-5-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 (4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 113433257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).