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

C23H34FN3O2 — CID 93209974

IUPAC(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
SMILESCC[C@@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H34FN3O2/c1-3-17(2)16-25-22(28)21(18-7-4-5-8-18)26-11-13-27(14-12-26)23(29)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21H,3-5,7-8,11-14,16H2,1-2H3,(H,25,28)/t17-,21+/m1/s1
InChIKeyUXHPIROPJZLDQQ-UTKZUKDTSA-N
MW403.54 g/mol
LogP3.30
Rot. Bonds7

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

(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide (PubChem CID 93209974) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
PubChem CID93209974
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
SMILESCC[C@@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H34FN3O2/c1-3-17(2)16-25-22(28)21(18-7-4-5-8-18)26-11-13-27(14-12-26)23(29)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21H,3-5,7-8,11-14,16H2,1-2H3,(H,25,28)/t17-,21+/m1/s1
InChIKeyUXHPIROPJZLDQQ-UTKZUKDTSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93210041
(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209757
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide (CID 93209974) is (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide is CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide?
The InChIKey is UXHPIROPJZLDQQ-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-3-17(2)16-25-22(28)21(18-7-4-5-8-18)26-11-13-27(14-12-26)23(29)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21H,3-5,7-8,11-14,16H2,1-2H3,(H,25,28)/t17-,21+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide?
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide has a molecular weight of 403.54 g/mol, XLogP of 3.30, 7 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-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide is sourced from PubChem (CID 93209974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).