[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C24H36ClN3O2 — CID 45231117

IUPAC[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCCN1CCCC(N2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C24H36ClN3O2/c1-2-26-12-6-7-20(18-26)27-15-10-21(11-16-27)30-23-17-19(25)8-9-22(23)24(29)28-13-4-3-5-14-28/h8-9,17,20-21H,2-7,10-16,18H2,1H3
InChIKeyUUSXBMHOJNAKPE-UHFFFAOYSA-N
MW434.02 g/mol
LogP4.29
Rot. Bonds5

About [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 45231117) has the molecular formula C24H36ClN3O2 and a molecular weight of 434.02 g/mol. Its IUPAC name is [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID45231117
Molecular FormulaC24H36ClN3O2
Molecular Weight434.02 g/mol
Exact Mass433.25
IUPAC Name[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCCN1CCCC(N2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C24H36ClN3O2/c1-2-26-12-6-7-20(18-26)27-15-10-21(11-16-27)30-23-17-19(25)8-9-22(23)24(29)28-13-4-3-5-14-28/h8-9,17,20-21H,2-7,10-16,18H2,1H3
InChIKeyUUSXBMHOJNAKPE-UHFFFAOYSA-N
XLogP4.29
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42376596
[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25378744
[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42514773
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 45231117) is [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is CCN1CCCC(N2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1.
What is the InChIKey of [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is UUSXBMHOJNAKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN3O2/c1-2-26-12-6-7-20(18-26)27-15-10-21(11-16-27)30-23-17-19(25)8-9-22(23)24(29)28-13-4-3-5-14-28/h8-9,17,20-21H,2-7,10-16,18H2,1H3.
What are the key properties of [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 434.02 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45231117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).