(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide

C25H39N3O4 — CID 93210041

IUPAC(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
SMILESCC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C25H39N3O4/c1-5-18(2)17-26-24(29)23(19-9-6-7-10-19)27-13-15-28(16-14-27)25(30)22-20(31-3)11-8-12-21(22)32-4/h8,11-12,18-19,23H,5-7,9-10,13-17H2,1-4H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyFUPAYQPAENSYFO-MBSDFSHPSA-N
MW445.60 g/mol
LogP3.18
Rot. Bonds9

About (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide

(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide (PubChem CID 93210041) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
PubChem CID93210041
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
SMILESCC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C25H39N3O4/c1-5-18(2)17-26-24(29)23(19-9-6-7-10-19)27-13-15-28(16-14-27)25(30)22-20(31-3)11-8-12-21(22)32-4/h8,11-12,18-19,23H,5-7,9-10,13-17H2,1-4H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyFUPAYQPAENSYFO-MBSDFSHPSA-N
XLogP3.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide (CID 93210041) is (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide is CC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide?
The InChIKey is FUPAYQPAENSYFO-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-5-18(2)17-26-24(29)23(19-9-6-7-10-19)27-13-15-28(16-14-27)25(30)22-20(31-3)11-8-12-21(22)32-4/h8,11-12,18-19,23H,5-7,9-10,13-17H2,1-4H3,(H,26,29)/t18-,23-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide?
(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide has a molecular weight of 445.60 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide is sourced from PubChem (CID 93210041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).