2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C18H25ClN2O2 — CID 110868491

IUPAC2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-15-4-6-17(7-5-15)23-14-18(22)21-12-8-16(9-13-21)20-10-2-1-3-11-20/h4-7,16H,1-3,8-14H2
InChIKeyZOGXKXRBIWBZAD-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 110868491) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID110868491
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-15-4-6-17(7-5-15)23-14-18(22)21-12-8-16(9-13-21)20-10-2-1-3-11-20/h4-7,16H,1-3,8-14H2
InChIKeyZOGXKXRBIWBZAD-UHFFFAOYSA-N
XLogP3.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 51090889
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 42693238
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082526
2-(4-chlorophenoxy)-1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]ethanone;oxalic acid
CID 2913008
1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 7203954
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 131909615

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 110868491) is 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is ZOGXKXRBIWBZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-15-4-6-17(7-5-15)23-14-18(22)21-12-8-16(9-13-21)20-10-2-1-3-11-20/h4-7,16H,1-3,8-14H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 336.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110868491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).