3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C19H30ClN3O3S — CID 119511221

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1CCCN1
InChIInChI=1S/C19H29N3O3S.ClH/c23-19(21-15-17-5-4-12-20-17)11-8-16-6-9-18(10-7-16)26(24,25)22-13-2-1-3-14-22;/h6-7,9-10,17,20H,1-5,8,11-15H2,(H,21,23);1H
InChIKeyXOLBGCOIBZEKFJ-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.08
Rot. Bonds7

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119511221) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119511221
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1CCCN1
InChIInChI=1S/C19H29N3O3S.ClH/c23-19(21-15-17-5-4-12-20-17)11-8-16-6-9-18(10-7-16)26(24,25)22-13-2-1-3-14-22;/h6-7,9-10,17,20H,1-5,8,11-15H2,(H,21,23);1H
InChIKeyXOLBGCOIBZEKFJ-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119511221) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1CCCN1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is XOLBGCOIBZEKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c23-19(21-15-17-5-4-12-20-17)11-8-16-6-9-18(10-7-16)26(24,25)22-13-2-1-3-14-22;/h6-7,9-10,17,20H,1-5,8,11-15H2,(H,21,23);1H.
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119511221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).