N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

C26H32FN3O2 — CID 42842361

IUPACN-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-28(19-20-7-3-2-4-8-20)26(32)24(21-9-5-6-10-21)29-15-17-30(18-16-29)25(31)22-11-13-23(27)14-12-22/h2-4,7-8,11-14,21,24H,5-6,9-10,15-19H2,1H3
InChIKeyVEMMTPHQLYDSFT-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.80
Rot. Bonds6

About N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 42842361) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID42842361
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC NameN-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-28(19-20-7-3-2-4-8-20)26(32)24(21-9-5-6-10-21)29-15-17-30(18-16-29)25(31)22-11-13-23(27)14-12-22/h2-4,7-8,11-14,21,24H,5-6,9-10,15-19H2,1H3
InChIKeyVEMMTPHQLYDSFT-UHFFFAOYSA-N
XLogP3.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-cyclopentyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 42842360
N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 42842363
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 46024140
2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024137
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 93208709
2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024132
(2S)-2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208685
2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 46024080
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 42842288
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 42842361) is N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is VEMMTPHQLYDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-28(19-20-7-3-2-4-8-20)26(32)24(21-9-5-6-10-21)29-15-17-30(18-16-29)25(31)22-11-13-23(27)14-12-22/h2-4,7-8,11-14,21,24H,5-6,9-10,15-19H2,1H3.
What are the key properties of N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 437.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 42842361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).