[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone

C20H18ClN3O2 — CID 67168369

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
SMILESO=C(c1nccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-14-3-5-15(6-4-14)26-16-8-12-24(13-9-16)20(25)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2
InChIKeyZMIAIHIJQMBCIF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone (PubChem CID 67168369) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
PubChem CID67168369
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
SMILESO=C(c1nccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-14-3-5-15(6-4-14)26-16-8-12-24(13-9-16)20(25)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2
InChIKeyZMIAIHIJQMBCIF-UHFFFAOYSA-N
XLogP3.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153
(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
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
4-(4-chloroquinolin-6-yl)oxypiperidine-1-carboxylic acid
CID 121318195

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone (CID 67168369) is [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone is O=C(c1nccc2ncccc12)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone?
The InChIKey is ZMIAIHIJQMBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-3-5-15(6-4-14)26-16-8-12-24(13-9-16)20(25)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone has a molecular weight of 367.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone is sourced from PubChem (CID 67168369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).