[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone

C21H33N3O3S — CID 55986425

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
SMILESCCCN1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H33N3O3S/c1-4-10-22-11-6-5-7-19(22)21(25)23-12-14-24(15-13-23)28(26,27)20-9-8-17(2)16-18(20)3/h8-9,16,19H,4-7,10-15H2,1-3H3
InChIKeyCCOCMOCEWFDBEC-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.40
Rot. Bonds5

About [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone (PubChem CID 55986425) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
PubChem CID55986425
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
SMILESCCCN1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H33N3O3S/c1-4-10-22-11-6-5-7-19(22)21(25)23-12-14-24(15-13-23)28(26,27)20-9-8-17(2)16-18(20)3/h8-9,16,19H,4-7,10-15H2,1-3H3
InChIKeyCCOCMOCEWFDBEC-UHFFFAOYSA-N
XLogP2.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986053
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopentyl-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-dimethylazanium
CID 8875679
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
4-(2,4-dimethylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811964
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951631
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-propoxyethanone
CID 48651964
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
[2-(aminomethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119467160
1,4-diazepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119415387
8-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56581640

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone (CID 55986425) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone is CCCN1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone?
The InChIKey is CCOCMOCEWFDBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-4-10-22-11-6-5-7-19(22)21(25)23-12-14-24(15-13-23)28(26,27)20-9-8-17(2)16-18(20)3/h8-9,16,19H,4-7,10-15H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone has a molecular weight of 407.58 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone is sourced from PubChem (CID 55986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).