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

C20H28N4O3S — CID 31843584

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H28N4O3S/c1-22(15-18-14-21-23(2)16-18)20(25)11-8-17-6-9-19(10-7-17)28(26,27)24-12-4-3-5-13-24/h6-7,9-10,14,16H,3-5,8,11-13,15H2,1-2H3
InChIKeyMVTXVIKTJXWGBT-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.19
Rot. Bonds7

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 31843584) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID31843584
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H28N4O3S/c1-22(15-18-14-21-23(2)16-18)20(25)11-8-17-6-9-19(10-7-17)28(26,27)24-12-4-3-5-13-24/h6-7,9-10,14,16H,3-5,8,11-13,15H2,1-2H3
InChIKeyMVTXVIKTJXWGBT-UHFFFAOYSA-N
XLogP2.19
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46477648
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 86883243
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 52742496
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 60558334

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 31843584) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CN(Cc1cnn(C)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MVTXVIKTJXWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-22(15-18-14-21-23(2)16-18)20(25)11-8-17-6-9-19(10-7-17)28(26,27)24-12-4-3-5-13-24/h6-7,9-10,14,16H,3-5,8,11-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 404.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 31843584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).