2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide

C26H34N4O2 — CID 46152900

IUPAC2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccccc1C(=O)N1CCN(C(C(=O)NCCc2ccccn2)C2CCCC2)CC1
InChIInChI=1S/C26H34N4O2/c1-20-8-2-5-12-23(20)26(32)30-18-16-29(17-19-30)24(21-9-3-4-10-21)25(31)28-15-13-22-11-6-7-14-27-22/h2,5-8,11-12,14,21,24H,3-4,9-10,13,15-19H2,1H3,(H,28,31)
InChIKeyHLLHEMSIPVKJLW-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.07
Rot. Bonds7

About 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 46152900) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID46152900
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccccc1C(=O)N1CCN(C(C(=O)NCCc2ccccn2)C2CCCC2)CC1
InChIInChI=1S/C26H34N4O2/c1-20-8-2-5-12-23(20)26(32)30-18-16-29(17-19-30)24(21-9-3-4-10-21)25(31)28-15-13-22-11-6-7-14-27-22/h2,5-8,11-12,14,21,24H,3-4,9-10,13,15-19H2,1H3,(H,28,31)
InChIKeyHLLHEMSIPVKJLW-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42842428
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93209571
2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46024433
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 93221257
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 46027247

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 46152900) is 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide is Cc1ccccc1C(=O)N1CCN(C(C(=O)NCCc2ccccn2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is HLLHEMSIPVKJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20-8-2-5-12-23(20)26(32)30-18-16-29(17-19-30)24(21-9-3-4-10-21)25(31)28-15-13-22-11-6-7-14-27-22/h2,5-8,11-12,14,21,24H,3-4,9-10,13,15-19H2,1H3,(H,28,31).
What are the key properties of 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 434.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 46152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).