2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide

C28H37N3O3 — CID 46024701

IUPAC2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C28H37N3O3/c1-21-9-3-7-13-24(21)28(33)31-19-17-30(18-20-31)26(23-11-4-5-12-23)27(32)29-16-15-22-10-6-8-14-25(22)34-2/h3,6-10,13-14,23,26H,4-5,11-12,15-20H2,1-2H3,(H,29,32)
InChIKeyQNWRZUDFEOFSEV-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.68
Rot. Bonds8

About 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024701) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID46024701
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C28H37N3O3/c1-21-9-3-7-13-24(21)28(33)31-19-17-30(18-20-31)26(23-11-4-5-12-23)27(32)29-16-15-22-10-6-8-14-25(22)34-2/h3,6-10,13-14,23,26H,4-5,11-12,15-20H2,1-2H3,(H,29,32)
InChIKeyQNWRZUDFEOFSEV-UHFFFAOYSA-N
XLogP3.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
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
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 46152900
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 46024703
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide (CID 46024701) is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide is COc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QNWRZUDFEOFSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-21-9-3-7-13-24(21)28(33)31-19-17-30(18-20-31)26(23-11-4-5-12-23)27(32)29-16-15-22-10-6-8-14-25(22)34-2/h3,6-10,13-14,23,26H,4-5,11-12,15-20H2,1-2H3,(H,29,32).
What are the key properties of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 463.62 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).