(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C26H39N3O4 — CID 93208375

IUPAC(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C26H39N3O4/c1-19-8-6-7-13-29(19)26(31)24(20-9-4-5-10-20)27-14-16-28(17-15-27)25(30)21-11-12-22(32-2)23(18-21)33-3/h11-12,18-20,24H,4-10,13-17H2,1-3H3/t19-,24-/m1/s1
InChIKeyPSCWJIZAACEMLG-NTKDMRAZSA-N
MW457.62 g/mol
LogP3.42
Rot. Bonds6

About (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 93208375) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID93208375
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C26H39N3O4/c1-19-8-6-7-13-29(19)26(31)24(20-9-4-5-10-20)27-14-16-28(17-15-27)25(30)21-11-12-22(32-2)23(18-21)33-3/h11-12,18-20,24H,4-10,13-17H2,1-3H3/t19-,24-/m1/s1
InChIKeyPSCWJIZAACEMLG-NTKDMRAZSA-N
XLogP3.42
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
(2R)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208356
(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208320
(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208373
(2R)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208350
(2S)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208347
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
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
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 93208375) is (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is COc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1OC.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is PSCWJIZAACEMLG-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-19-8-6-7-13-29(19)26(31)24(20-9-4-5-10-20)27-14-16-28(17-15-27)25(30)21-11-12-22(32-2)23(18-21)33-3/h11-12,18-20,24H,4-10,13-17H2,1-3H3/t19-,24-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 457.62 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93208375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).