3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H30ClN3O3S — CID 119532378

IUPAC3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCNC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-11-22(17-9-10-20-15-17)19(23)16-7-6-8-18(14-16)26(24,25)21-12-4-3-5-13-21;/h6-8,14,17,20H,2-5,9-13,15H2,1H3;1H
InChIKeyIIQAOXWBOFKPMS-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.50
Rot. Bonds6

About 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119532378) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119532378
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCNC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-11-22(17-9-10-20-15-17)19(23)16-7-6-8-18(14-16)26(24,25)21-12-4-3-5-13-21;/h6-8,14,17,20H,2-5,9-13,15H2,1H3;1H
InChIKeyIIQAOXWBOFKPMS-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-1-ylsulfonyl-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

1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-(2-cyanoethyl)-N-(oxan-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 56534737
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119531682

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119532378) is 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCNC1.Cl.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is IIQAOXWBOFKPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-2-11-22(17-9-10-20-15-17)19(23)16-7-6-8-18(14-16)26(24,25)21-12-4-3-5-13-21;/h6-8,14,17,20H,2-5,9-13,15H2,1H3;1H.
What are the key properties of 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119532378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).