1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine

C19H30N2O3S — CID 110356564

IUPAC1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOc1ccccc1CCCN1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-24-19-11-5-2-7-17(19)8-6-12-20-13-15-21(16-14-20)25(22,23)18-9-3-4-10-18/h2,5,7,11,18H,3-4,6,8-10,12-16H2,1H3
InChIKeyFMEHVYQSPFRZPO-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.52
Rot. Bonds7

About 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine

1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine (PubChem CID 110356564) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
PubChem CID110356564
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOc1ccccc1CCCN1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-24-19-11-5-2-7-17(19)8-6-12-20-13-15-21(16-14-20)25(22,23)18-9-3-4-10-18/h2,5,7,11,18H,3-4,6,8-10,12-16H2,1H3
InChIKeyFMEHVYQSPFRZPO-UHFFFAOYSA-N
XLogP2.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110616620
N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
CID 110408740
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110358210
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411379
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35308806
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-cyclopropylsulfonyl-4-(2-phenylethyl)-1,4-diazepane
CID 154853744
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine (CID 110356564) is 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine is COc1ccccc1CCCN1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine?
The InChIKey is FMEHVYQSPFRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-24-19-11-5-2-7-17(19)8-6-12-20-13-15-21(16-14-20)25(22,23)18-9-3-4-10-18/h2,5,7,11,18H,3-4,6,8-10,12-16H2,1H3.
What are the key properties of 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine?
1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine has a molecular weight of 366.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 110356564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).