[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone

C21H19ClN2O2 — CID 67169614

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-15-6-8-16(9-7-15)26-17-10-13-24(14-11-17)21(25)19-3-1-5-20-18(19)4-2-12-23-20/h1-9,12,17H,10-11,13-14H2
InChIKeyZJHWAURQYHXXHJ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.57
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone

[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 67169614) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
PubChem CID67169614
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-15-6-8-16(9-7-15)26-17-10-13-24(14-11-17)21(25)19-3-1-5-20-18(19)4-2-12-23-20/h1-9,12,17H,10-11,13-14H2
InChIKeyZJHWAURQYHXXHJ-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone
CID 67169966
(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166335710
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
N-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]quinoline-5-carboxamide
CID 134303629
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone (CID 67169614) is [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is ZJHWAURQYHXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-15-6-8-16(9-7-15)26-17-10-13-24(14-11-17)21(25)19-3-1-5-20-18(19)4-2-12-23-20/h1-9,12,17H,10-11,13-14H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 366.85 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 67169614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).