[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C23H32ClN3O3 — CID 56551226

IUPAC[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C23H32ClN3O3/c1-30-21-5-4-18(24)16-20(21)23(29)27-12-6-17(7-13-27)22(28)26-14-8-19(9-15-26)25-10-2-3-11-25/h4-5,16-17,19H,2-3,6-15H2,1H3
InChIKeyFLQJETSNSSGWFN-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.29
Rot. Bonds4

About [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56551226) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56551226
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C23H32ClN3O3/c1-30-21-5-4-18(24)16-20(21)23(29)27-12-6-17(7-13-27)22(28)26-14-8-19(9-15-26)25-10-2-3-11-25/h4-5,16-17,19H,2-3,6-15H2,1H3
InChIKeyFLQJETSNSSGWFN-UHFFFAOYSA-N
XLogP3.29
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523
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
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
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
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764495
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 60589395
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56551226) is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is FLQJETSNSSGWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-30-21-5-4-18(24)16-20(21)23(29)27-12-6-17(7-13-27)22(28)26-14-8-19(9-15-26)25-10-2-3-11-25/h4-5,16-17,19H,2-3,6-15H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 433.98 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56551226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).