1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone

C22H28N2OS — CID 18456285

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccc2ccccc12)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H28N2OS/c25-22(24-14-12-23(13-15-24)20-9-2-3-10-20)17-26-16-19-8-5-7-18-6-1-4-11-21(18)19/h1,4-8,11,20H,2-3,9-10,12-17H2
InChIKeyYUFCNPIXYIDVMP-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone (PubChem CID 18456285) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone
PubChem CID18456285
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccc2ccccc12)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H28N2OS/c25-22(24-14-12-23(13-15-24)20-9-2-3-10-20)17-26-16-19-8-5-7-18-6-1-4-11-21(18)19/h1,4-8,11,20H,2-3,9-10,12-17H2
InChIKeyYUFCNPIXYIDVMP-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 58465410
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 113427775
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
2-benzylsulfanyl-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 8620858
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone (CID 18456285) is 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone is O=C(CSCc1cccc2ccccc12)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone?
The InChIKey is YUFCNPIXYIDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c25-22(24-14-12-23(13-15-24)20-9-2-3-10-20)17-26-16-19-8-5-7-18-6-1-4-11-21(18)19/h1,4-8,11,20H,2-3,9-10,12-17H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone has a molecular weight of 368.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 18456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).