3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide

C20H31N3O3S — CID 119424951

IUPAC3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCNC1
InChIInChI=1S/C20H31N3O3S/c24-20(22-18-6-5-13-21-16-18)12-9-17-7-10-19(11-8-17)27(25,26)23-14-3-1-2-4-15-23/h7-8,10-11,18,21H,1-6,9,12-16H2,(H,22,24)
InChIKeyOZSAHZSLUPTKAY-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.05
Rot. Bonds6

About 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide (PubChem CID 119424951) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
PubChem CID119424951
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCNC1
InChIInChI=1S/C20H31N3O3S/c24-20(22-18-6-5-13-21-16-18)12-9-17-7-10-19(11-8-17)27(25,26)23-14-3-1-2-4-15-23/h7-8,10-11,18,21H,1-6,9,12-16H2,(H,22,24)
InChIKeyOZSAHZSLUPTKAY-UHFFFAOYSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
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-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide (CID 119424951) is 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCNC1.
What is the InChIKey of 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide?
The InChIKey is OZSAHZSLUPTKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c24-20(22-18-6-5-13-21-16-18)12-9-17-7-10-19(11-8-17)27(25,26)23-14-3-1-2-4-15-23/h7-8,10-11,18,21H,1-6,9,12-16H2,(H,22,24).
What are the key properties of 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide?
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide has a molecular weight of 393.55 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119424951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).