[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone

C23H30ClN3O4 — CID 56511112

IUPAC[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C23H30ClN3O4/c1-31-20-6-5-18(24)15-19(20)23(30)25-9-7-17(8-10-25)22(29)27-13-11-26(12-14-27)21(28)16-3-2-4-16/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyGBTVAXYTCZOEQA-UHFFFAOYSA-N
MW447.96 g/mol
LogP2.67
Rot. Bonds4

About [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 56511112) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID56511112
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Name[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C23H30ClN3O4/c1-31-20-6-5-18(24)15-19(20)23(30)25-9-7-17(8-10-25)22(29)27-13-11-26(12-14-27)21(28)16-3-2-4-16/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyGBTVAXYTCZOEQA-UHFFFAOYSA-N
XLogP2.67
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55624001
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 30102559
(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 78861590

Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone (CID 56511112) is [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C(=O)C3CCC3)CC2)CC1.
What is the InChIKey of [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is GBTVAXYTCZOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-31-20-6-5-18(24)15-19(20)23(30)25-9-7-17(8-10-25)22(29)27-13-11-26(12-14-27)21(28)16-3-2-4-16/h5-6,15-17H,2-4,7-14H2,1H3.
What are the key properties of [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone?
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 447.96 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 56511112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).