[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone

C21H28ClN3O2 — CID 113005178

IUPAC[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H28ClN3O2/c22-18-5-2-6-19(15-18)23-11-13-25(14-12-23)21(27)17-7-9-24(10-8-17)20(26)16-3-1-4-16/h2,5-6,15-17H,1,3-4,7-14H2
InChIKeyVITYIQWWKOOBCL-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.03
Rot. Bonds3

About [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone

[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone (PubChem CID 113005178) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
PubChem CID113005178
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H28ClN3O2/c22-18-5-2-6-19(15-18)23-11-13-25(14-12-23)21(27)17-7-9-24(10-8-17)20(26)16-3-1-4-16/h2,5-6,15-17H,1,3-4,7-14H2
InChIKeyVITYIQWWKOOBCL-UHFFFAOYSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7029150
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone (CID 113005178) is [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is VITYIQWWKOOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-18-5-2-6-19(15-18)23-11-13-25(14-12-23)21(27)17-7-9-24(10-8-17)20(26)16-3-1-4-16/h2,5-6,15-17H,1,3-4,7-14H2.
What are the key properties of [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone?
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 389.93 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 113005178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).