(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone

C15H15BrN2O — CID 80661755

IUPAC(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC(Br)CC1
InChIInChI=1S/C15H15BrN2O/c16-11-6-9-18(10-7-11)15(19)13-3-1-5-14-12(13)4-2-8-17-14/h1-5,8,11H,6-7,9-10H2
InChIKeyCDQOBTZNKOPNDZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.23
Rot. Bonds1

About (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone

(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone (PubChem CID 80661755) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
PubChem CID80661755
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC(Br)CC1
InChIInChI=1S/C15H15BrN2O/c16-11-6-9-18(10-7-11)15(19)13-3-1-5-14-12(13)4-2-8-17-14/h1-5,8,11H,6-7,9-10H2
InChIKeyCDQOBTZNKOPNDZ-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(3R,4S)-3-benzyl-4-hydroxy-1-(quinoline-5-carbonyl)piperidine-3-carboxylic acid
CID 164696101
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone?
The IUPAC name of (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone (CID 80661755) is (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone?
The InChIKey is CDQOBTZNKOPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-11-6-9-18(10-7-11)15(19)13-3-1-5-14-12(13)4-2-8-17-14/h1-5,8,11H,6-7,9-10H2.
What are the key properties of (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone?
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone has a molecular weight of 319.20 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 80661755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).