4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C20H32ClN3O3S — CID 119529858

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-3-12-23(18-8-11-21-15-18)20(24)17-4-6-19(7-5-17)27(25,26)22-13-9-16(2)10-14-22;/h4-7,16,18,21H,3,8-15H2,1-2H3;1H
InChIKeyMCROZFJIXGIGSP-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.74
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119529858) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119529858
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-3-12-23(18-8-11-21-15-18)20(24)17-4-6-19(7-5-17)27(25,26)22-13-9-16(2)10-14-22;/h4-7,16,18,21H,3,8-15H2,1-2H3;1H
InChIKeyMCROZFJIXGIGSP-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823590
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 17402330
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119529858) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is MCROZFJIXGIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-3-12-23(18-8-11-21-15-18)20(24)17-4-6-19(7-5-17)27(25,26)22-13-9-16(2)10-14-22;/h4-7,16,18,21H,3,8-15H2,1-2H3;1H.
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119529858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).