2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C22H30N4O3 — CID 110610820

IUPAC2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCc1nnc(N2CCN(C(=O)C(c3ccc(OC)cc3)C3CCCC3)CC2)o1
InChIInChI=1S/C22H30N4O3/c1-3-19-23-24-22(29-19)26-14-12-25(13-15-26)21(27)20(16-6-4-5-7-16)17-8-10-18(28-2)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3
InChIKeyIDZXVYFSOONOLV-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.26
Rot. Bonds6

About 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 110610820) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID110610820
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCc1nnc(N2CCN(C(=O)C(c3ccc(OC)cc3)C3CCCC3)CC2)o1
InChIInChI=1S/C22H30N4O3/c1-3-19-23-24-22(29-19)26-14-12-25(13-15-26)21(27)20(16-6-4-5-7-16)17-8-10-18(28-2)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3
InChIKeyIDZXVYFSOONOLV-UHFFFAOYSA-N
XLogP3.26
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417224
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
CID 110610777
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26336843
tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110419882
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 125444165
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 110610820) is 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is CCc1nnc(N2CCN(C(=O)C(c3ccc(OC)cc3)C3CCCC3)CC2)o1.
What is the InChIKey of 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is IDZXVYFSOONOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-19-23-24-22(29-19)26-14-12-25(13-15-26)21(27)20(16-6-4-5-7-16)17-8-10-18(28-2)11-9-17/h8-11,16,20H,3-7,12-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 398.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 110610820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).