N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide

C29H34FN5O3 — CID 92771591

IUPACN-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1
InChIInChI=1S/C29H34FN5O3/c1-20(36)31-26(18-24-8-4-5-9-25(24)30)29(37)35-16-14-34(15-17-35)19-21-10-12-22(13-11-21)27-32-28(38-33-27)23-6-2-3-7-23/h4-5,8-13,23,26H,2-3,6-7,14-19H2,1H3,(H,31,36)/t26-/m0/s1
InChIKeyZJWSPKLTAMEAIP-SANMLTNESA-N
MW519.62 g/mol
LogP3.92
Rot. Bonds8

About N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide (PubChem CID 92771591) has the molecular formula C29H34FN5O3 and a molecular weight of 519.62 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
PubChem CID92771591
Molecular FormulaC29H34FN5O3
Molecular Weight519.62 g/mol
Exact Mass519.26
IUPAC NameN-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1
InChIInChI=1S/C29H34FN5O3/c1-20(36)31-26(18-24-8-4-5-9-25(24)30)29(37)35-16-14-34(15-17-35)19-21-10-12-22(13-11-21)27-32-28(38-33-27)23-6-2-3-7-23/h4-5,8-13,23,26H,2-3,6-7,14-19H2,1H3,(H,31,36)/t26-/m0/s1
InChIKeyZJWSPKLTAMEAIP-SANMLTNESA-N
XLogP3.92
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-3-(2-fluorophenyl)-1-oxo-1-[4-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 98213561
N-[1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 46099786
N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 92760760
N-[3-(2-fluorophenyl)-1-oxo-1-[4-[[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 46099926
(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one
CID 92760069
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946
(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119313752
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
2-phenyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 42760576
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
(4-benzylpiperazin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151790
2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 86889096

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide (CID 92771591) is N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The InChIKey is ZJWSPKLTAMEAIP-SANMLTNESA-N. The full InChI is InChI=1S/C29H34FN5O3/c1-20(36)31-26(18-24-8-4-5-9-25(24)30)29(37)35-16-14-34(15-17-35)19-21-10-12-22(13-11-21)27-32-28(38-33-27)23-6-2-3-7-23/h4-5,8-13,23,26H,2-3,6-7,14-19H2,1H3,(H,31,36)/t26-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide has a molecular weight of 519.62 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 92771591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).