2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide

C24H37N3O3 — CID 42842614

IUPAC2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESCCC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C24H37N3O3/c1-3-19(2)17-25-24(29)23(20-9-7-8-10-20)27-15-13-26(14-16-27)22(28)18-30-21-11-5-4-6-12-21/h4-6,11-12,19-20,23H,3,7-10,13-18H2,1-2H3,(H,25,29)
InChIKeyYXCDMUYHBRBRSX-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.93
Rot. Bonds9

About 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 42842614) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
PubChem CID42842614
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESCCC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C24H37N3O3/c1-3-19(2)17-25-24(29)23(20-9-7-8-10-20)27-15-13-26(14-16-27)22(28)18-30-21-11-5-4-6-12-21/h4-6,11-12,19-20,23H,3,7-10,13-18H2,1-2H3,(H,25,29)
InChIKeyYXCDMUYHBRBRSX-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
CID 42842468
(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93210041
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (CID 42842614) is 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is CCC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is YXCDMUYHBRBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-3-19(2)17-25-24(29)23(20-9-7-8-10-20)27-15-13-26(14-16-27)22(28)18-30-21-11-5-4-6-12-21/h4-6,11-12,19-20,23H,3,7-10,13-18H2,1-2H3,(H,25,29).
What are the key properties of 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42842614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).