(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

C25H29F2N3O2 — CID 93210224

IUPAC(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H29F2N3O2/c26-20-9-5-6-18(16-20)17-28-24(31)23(19-7-1-2-8-19)29-12-14-30(15-13-29)25(32)21-10-3-4-11-22(21)27/h3-6,9-11,16,19,23H,1-2,7-8,12-15,17H2,(H,28,31)/t23-/m0/s1
InChIKeyMOQCVHGZIJPFTB-QHCPKHFHSA-N
MW441.52 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 93210224) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID93210224
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H29F2N3O2/c26-20-9-5-6-18(16-20)17-28-24(31)23(19-7-1-2-8-19)29-12-14-30(15-13-29)25(32)21-10-3-4-11-22(21)27/h3-6,9-11,16,19,23H,1-2,7-8,12-15,17H2,(H,28,31)/t23-/m0/s1
InChIKeyMOQCVHGZIJPFTB-QHCPKHFHSA-N
XLogP3.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 93210253
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 93210224) is (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is MOQCVHGZIJPFTB-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c26-20-9-5-6-18(16-20)17-28-24(31)23(19-7-1-2-8-19)29-12-14-30(15-13-29)25(32)21-10-3-4-11-22(21)27/h3-6,9-11,16,19,23H,1-2,7-8,12-15,17H2,(H,28,31)/t23-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 441.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 93210224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).