2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide

C28H37N3O2 — CID 46024214

IUPAC2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H37N3O2/c1-21(2)20-29-27(32)26(24-10-6-7-11-24)30-16-18-31(19-17-30)28(33)25-14-12-23(13-15-25)22-8-4-3-5-9-22/h3-5,8-9,12-15,21,24,26H,6-7,10-11,16-20H2,1-2H3,(H,29,32)
InChIKeyOLZRVNFXVLSDCJ-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.44
Rot. Bonds7

About 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024214) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide
PubChem CID46024214
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H37N3O2/c1-21(2)20-29-27(32)26(24-10-6-7-11-24)30-16-18-31(19-17-30)28(33)25-14-12-23(13-15-25)22-8-4-3-5-9-22/h3-5,8-9,12-15,21,24,26H,6-7,10-11,16-20H2,1-2H3,(H,29,32)
InChIKeyOLZRVNFXVLSDCJ-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24719909
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210129
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
(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
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
2-cyclopentyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42843543
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide (CID 46024214) is 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide is CC(C)CNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is OLZRVNFXVLSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21(2)20-29-27(32)26(24-10-6-7-11-24)30-16-18-31(19-17-30)28(33)25-14-12-23(13-15-25)22-8-4-3-5-9-22/h3-5,8-9,12-15,21,24,26H,6-7,10-11,16-20H2,1-2H3,(H,29,32).
What are the key properties of 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 447.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).