2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C25H37N3O4 — CID 42842307

IUPAC2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C25H37N3O4/c1-31-21-11-10-20(18-22(21)32-2)24(29)28-16-14-26(15-17-28)23(19-8-4-5-9-19)25(30)27-12-6-3-7-13-27/h10-11,18-19,23H,3-9,12-17H2,1-2H3
InChIKeyOBDQECFUUKGODM-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.03
Rot. Bonds6

About 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 42842307) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID42842307
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C25H37N3O4/c1-31-21-11-10-20(18-22(21)32-2)24(29)28-16-14-26(15-17-28)23(19-8-4-5-9-19)25(30)27-12-6-3-7-13-27/h10-11,18-19,23H,3-9,12-17H2,1-2H3
InChIKeyOBDQECFUUKGODM-UHFFFAOYSA-N
XLogP3.03
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208375
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(E)-3-cyclopentyl-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108935081
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 42842307) is 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is COc1ccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)cc1OC.
What is the InChIKey of 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is OBDQECFUUKGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-31-21-11-10-20(18-22(21)32-2)24(29)28-16-14-26(15-17-28)23(19-8-4-5-9-19)25(30)27-12-6-3-7-13-27/h10-11,18-19,23H,3-9,12-17H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 443.59 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 42842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).