[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C21H27ClN2O3 — CID 78778814

IUPAC[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1)N1CCOCC1
InChIInChI=1S/C21H27ClN2O3/c22-18-4-2-17(3-5-18)21(8-1-9-21)20(26)24-10-6-16(7-11-24)19(25)23-12-14-27-15-13-23/h2-5,16H,1,6-15H2
InChIKeyVBLULUDZZGHGOB-UHFFFAOYSA-N
MW390.91 g/mol
LogP2.86
Rot. Bonds3

About [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 78778814) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID78778814
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1)N1CCOCC1
InChIInChI=1S/C21H27ClN2O3/c22-18-4-2-17(3-5-18)21(8-1-9-21)20(26)24-10-6-16(7-11-24)19(25)23-12-14-27-15-13-23/h2-5,16H,1,6-15H2
InChIKeyVBLULUDZZGHGOB-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid;[1-(4-chlorophenyl)cyclobutyl]-(4-hydroxypiperidin-1-yl)methanone;piperidin-4-ol
CID 161247840
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 78778814) is [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1)N1CCOCC1.
What is the InChIKey of [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VBLULUDZZGHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c22-18-4-2-17(3-5-18)21(8-1-9-21)20(26)24-10-6-16(7-11-24)19(25)23-12-14-27-15-13-23/h2-5,16H,1,6-15H2.
What are the key properties of [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 390.91 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78778814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).