(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone

C18H26N2O2S — CID 134020797

IUPAC(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCS(=O)Cc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-23(22)14-15-5-4-6-16(13-15)18(21)20-11-9-19(10-12-20)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12,14H2,1H3
InChIKeyDZXJAVKFKOOLEL-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.27
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone (PubChem CID 134020797) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
PubChem CID134020797
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCS(=O)Cc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-23(22)14-15-5-4-6-16(13-15)18(21)20-11-9-19(10-12-20)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12,14H2,1H3
InChIKeyDZXJAVKFKOOLEL-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 42160311
1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 18137390
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(2S)-1-[3-(methylsulfinylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365189
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 94536612
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[3-(methylsulfinylmethyl)phenyl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448815
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone (CID 134020797) is (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone is CS(=O)Cc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone?
The InChIKey is DZXJAVKFKOOLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-23(22)14-15-5-4-6-16(13-15)18(21)20-11-9-19(10-12-20)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12,14H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone is sourced from PubChem (CID 134020797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).