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

C20H31N3O3S — CID 119442142

IUPACN-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C20H31N3O3S/c1-22(18-11-13-21-14-12-18)20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-15-3-2-4-16-23/h5-6,8-9,18,21H,2-4,7,10-16H2,1H3
InChIKeyNCIUBNZYJFWPRI-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.00
Rot. Bonds6

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

N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 119442142) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID119442142
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C20H31N3O3S/c1-22(18-11-13-21-14-12-18)20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-15-3-2-4-16-23/h5-6,8-9,18,21H,2-4,7,10-16H2,1H3
InChIKeyNCIUBNZYJFWPRI-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 60558334
N-(cyclohexylmethyl)-N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60535288
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119576915
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
3-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]propanoic acid
CID 61405423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 119442142) is N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NCIUBNZYJFWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-22(18-11-13-21-14-12-18)20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-15-3-2-4-16-23/h5-6,8-9,18,21H,2-4,7,10-16H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119442142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).