[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone

C23H32ClNO3 — CID 154858939

IUPAC[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone
SMILESO=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H32ClNO3/c24-20-7-3-17(4-8-20)18-11-13-25(14-12-18)23(26)19-5-9-21(10-6-19)28-16-22-2-1-15-27-22/h3-4,7-8,18-19,21-22H,1-2,5-6,9-16H2
InChIKeyWNTVJQYMKLEBDB-UHFFFAOYSA-N
MW405.97 g/mol
LogP4.80
Rot. Bonds5

About [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone

[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone (PubChem CID 154858939) has the molecular formula C23H32ClNO3 and a molecular weight of 405.97 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone
PubChem CID154858939
Molecular FormulaC23H32ClNO3
Molecular Weight405.97 g/mol
Exact Mass405.21
IUPAC Name[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone
SMILESO=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H32ClNO3/c24-20-7-3-17(4-8-20)18-11-13-25(14-12-18)23(26)19-5-9-21(10-6-19)28-16-22-2-1-15-27-22/h3-4,7-8,18-19,21-22H,1-2,5-6,9-16H2
InChIKeyWNTVJQYMKLEBDB-UHFFFAOYSA-N
XLogP4.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone with MolForge

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Related Compounds

N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
N'-[(4-chlorophenyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449959
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 154752669
[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
CID 40895496
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 94656763
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone (CID 154858939) is [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone is O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone?
The InChIKey is WNTVJQYMKLEBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClNO3/c24-20-7-3-17(4-8-20)18-11-13-25(14-12-18)23(26)19-5-9-21(10-6-19)28-16-22-2-1-15-27-22/h3-4,7-8,18-19,21-22H,1-2,5-6,9-16H2.
What are the key properties of [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone?
[4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone has a molecular weight of 405.97 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)cyclohexyl]methanone is sourced from PubChem (CID 154858939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).