3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide

C18H27N3O3S — CID 119450862

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCNC1
InChIInChI=1S/C18H27N3O3S/c22-18(20-16-10-11-19-14-16)9-6-15-4-7-17(8-5-15)25(23,24)21-12-2-1-3-13-21/h4-5,7-8,16,19H,1-3,6,9-14H2,(H,20,22)
InChIKeyHKTGQCYMWDWTAW-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.27
Rot. Bonds6

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide

3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119450862) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
PubChem CID119450862
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCNC1
InChIInChI=1S/C18H27N3O3S/c22-18(20-16-10-11-19-14-16)9-6-15-4-7-17(8-5-15)25(23,24)21-12-2-1-3-13-21/h4-5,7-8,16,19H,1-3,6,9-14H2,(H,20,22)
InChIKeyHKTGQCYMWDWTAW-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide (CID 119450862) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCNC1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is HKTGQCYMWDWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-18(20-16-10-11-19-14-16)9-6-15-4-7-17(8-5-15)25(23,24)21-12-2-1-3-13-21/h4-5,7-8,16,19H,1-3,6,9-14H2,(H,20,22).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 1.27, 6 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-3-ylpropanamide is sourced from PubChem (CID 119450862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).