(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

C17H26ClN3O4S — CID 119265567

IUPAC(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-24-14-4-6-15(7-5-14)25(22,23)20-12-10-19(11-13-20)16(21)17(18)8-2-3-9-17;/h4-7H,2-3,8-13,18H2,1H3;1H
InChIKeyZYYFZNOFXNDNJM-UHFFFAOYSA-N
MW403.93 g/mol
LogP1.22
Rot. Bonds4

About (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 119265567) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
PubChem CID119265567
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-24-14-4-6-15(7-5-14)25(22,23)20-12-10-19(11-13-20)16(21)17(18)8-2-3-9-17;/h4-7H,2-3,8-13,18H2,1H3;1H
InChIKeyZYYFZNOFXNDNJM-UHFFFAOYSA-N
XLogP1.22
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
(1-aminocyclohexyl)-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methanone
CID 119302953
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567472

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (CID 119265567) is (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl.
What is the InChIKey of (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZYYFZNOFXNDNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-24-14-4-6-15(7-5-14)25(22,23)20-12-10-19(11-13-20)16(21)17(18)8-2-3-9-17;/h4-7H,2-3,8-13,18H2,1H3;1H.
What are the key properties of (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119265567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).