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

C23H25N3O3S — CID 29330338

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25N3O3S/c27-23(25-20-16-19-6-2-3-7-22(19)24-17-20)13-10-18-8-11-21(12-9-18)30(28,29)26-14-4-1-5-15-26/h2-3,6-9,11-12,16-17H,1,4-5,10,13-15H2,(H,25,27)
InChIKeyJKRIXTFVHNFCRT-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.98
Rot. Bonds6

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

3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide (PubChem CID 29330338) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
PubChem CID29330338
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25N3O3S/c27-23(25-20-16-19-6-2-3-7-22(19)24-17-20)13-10-18-8-11-21(12-9-18)30(28,29)26-14-4-1-5-15-26/h2-3,6-9,11-12,16-17H,1,4-5,10,13-15H2,(H,25,27)
InChIKeyJKRIXTFVHNFCRT-UHFFFAOYSA-N
XLogP3.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24599956
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55457643
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55457232
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide (CID 29330338) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide?
The InChIKey is JKRIXTFVHNFCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(25-20-16-19-6-2-3-7-22(19)24-17-20)13-10-18-8-11-21(12-9-18)30(28,29)26-14-4-1-5-15-26/h2-3,6-9,11-12,16-17H,1,4-5,10,13-15H2,(H,25,27).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 29330338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).