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

C20H32ClN3O3S — CID 119534778

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC1CCNC1
InChIInChI=1S/C20H31N3O3S.ClH/c24-20(22-13-11-18-10-12-21-16-18)9-6-17-4-7-19(8-5-17)27(25,26)23-14-2-1-3-15-23;/h4-5,7-8,18,21H,1-3,6,9-16H2,(H,22,24);1H
InChIKeyGGWCGQYASOZCLC-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.33
Rot. Bonds8

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

3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119534778) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119534778
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC1CCNC1
InChIInChI=1S/C20H31N3O3S.ClH/c24-20(22-13-11-18-10-12-21-16-18)9-6-17-4-7-19(8-5-17)27(25,26)23-14-2-1-3-15-23;/h4-5,7-8,18,21H,1-3,6,9-16H2,(H,22,24);1H
InChIKeyGGWCGQYASOZCLC-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119537712
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-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119535384
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534976
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (CID 119534778) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is Cl.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC1CCNC1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is GGWCGQYASOZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c24-20(22-13-11-18-10-12-21-16-18)9-6-17-4-7-19(8-5-17)27(25,26)23-14-2-1-3-15-23;/h4-5,7-8,18,21H,1-3,6,9-16H2,(H,22,24);1H.
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.33, 8 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-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).