2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C23H33ClN4O4 — CID 55622870

IUPAC2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C23H33ClN4O4/c1-16(2)25-21(29)15-26-10-12-28(13-11-26)22(30)17-6-8-27(9-7-17)23(31)19-14-18(24)4-5-20(19)32-3/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,25,29)
InChIKeyFLSIGAPOMXCOIP-UHFFFAOYSA-N
MW464.99 g/mol
LogP1.87
Rot. Bonds6

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

2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55622870) has the molecular formula C23H33ClN4O4 and a molecular weight of 464.99 g/mol. Its IUPAC name is 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55622870
Molecular FormulaC23H33ClN4O4
Molecular Weight464.99 g/mol
Exact Mass464.22
IUPAC Name2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C23H33ClN4O4/c1-16(2)25-21(29)15-26-10-12-28(13-11-26)22(30)17-6-8-27(9-7-17)23(31)19-14-18(24)4-5-20(19)32-3/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,25,29)
InChIKeyFLSIGAPOMXCOIP-UHFFFAOYSA-N
XLogP1.87
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55624001
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
[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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55622870) is 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1.
What is the InChIKey of 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FLSIGAPOMXCOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O4/c1-16(2)25-21(29)15-26-10-12-28(13-11-26)22(30)17-6-8-27(9-7-17)23(31)19-14-18(24)4-5-20(19)32-3/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 464.99 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55622870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).