N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C19H29N3O3S — CID 9271161

IUPACN-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NN1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-21-13-3-1-4-14-21)12-9-17-7-10-18(11-8-17)26(24,25)22-15-5-2-6-16-22/h7-8,10-11H,1-6,9,12-16H2,(H,20,23)
InChIKeyGAHAJNKUJUJNBO-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.31
Rot. Bonds6

About N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 9271161) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID9271161
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NN1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-21-13-3-1-4-14-21)12-9-17-7-10-18(11-8-17)26(24,25)22-15-5-2-6-16-22/h7-8,10-11H,1-6,9,12-16H2,(H,20,23)
InChIKeyGAHAJNKUJUJNBO-UHFFFAOYSA-N
XLogP2.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
2,2-dimethyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoic acid
CID 119249808
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562799
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
(2R)-3-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoic acid
CID 119368533
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 9271161) is N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NN1CCCCC1.
What is the InChIKey of N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is GAHAJNKUJUJNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-21-13-3-1-4-14-21)12-9-17-7-10-18(11-8-17)26(24,25)22-15-5-2-6-16-22/h7-8,10-11H,1-6,9,12-16H2,(H,20,23).
What are the key properties of N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 379.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 9271161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).