N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C24H39N3O3S — CID 60573549

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C24H39N3O3S/c1-19-15-20(2)17-26(16-19)18-21(3)25-24(28)12-9-22-7-10-23(11-8-22)31(29,30)27-13-5-4-6-14-27/h7-8,10-11,19-21H,4-6,9,12-18H2,1-3H3,(H,25,28)
InChIKeyNYZFOPCNXYAVJF-UHFFFAOYSA-N
MW449.66 g/mol
LogP3.28
Rot. Bonds8

About N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 60573549) has the molecular formula C24H39N3O3S and a molecular weight of 449.66 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID60573549
Molecular FormulaC24H39N3O3S
Molecular Weight449.66 g/mol
Exact Mass449.27
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C24H39N3O3S/c1-19-15-20(2)17-26(16-19)18-21(3)25-24(28)12-9-22-7-10-23(11-8-22)31(29,30)27-13-5-4-6-14-27/h7-8,10-11,19-21H,4-6,9,12-18H2,1-3H3,(H,25,28)
InChIKeyNYZFOPCNXYAVJF-UHFFFAOYSA-N
XLogP3.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 24677488
(2R)-3-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoic acid
CID 119368533
(2S)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate
CID 9292221
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
(2R)-4-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]pentanoic acid
CID 119363512
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 7833234
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 60573549) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC1CC(C)CN(CC(C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NYZFOPCNXYAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3S/c1-19-15-20(2)17-26(16-19)18-21(3)25-24(28)12-9-22-7-10-23(11-8-22)31(29,30)27-13-5-4-6-14-27/h7-8,10-11,19-21H,4-6,9,12-18H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 449.66 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 60573549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).