N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C20H27N5O4S — CID 124961073

IUPACN-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C20H27N5O4S/c1-24(13-15-7-4-3-5-8-15)20(27)17-11-21-23-19(17)16-9-6-10-25(14-16)18(26)12-22-30(2,28)29/h3-5,7-8,11,16,22H,6,9-10,12-14H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyGYWTWXDYMZGAFM-MRXNPFEDSA-N
MW433.53 g/mol
LogP0.94
Rot. Bonds7

About N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 124961073) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID124961073
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC NameN-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C20H27N5O4S/c1-24(13-15-7-4-3-5-8-15)20(27)17-11-21-23-19(17)16-9-6-10-25(14-16)18(26)12-22-30(2,28)29/h3-5,7-8,11,16,22H,6,9-10,12-14H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyGYWTWXDYMZGAFM-MRXNPFEDSA-N
XLogP0.94
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124965902
N-benzyl-N-methyl-5-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125007348
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
N-benzyl-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
N-[2-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56741070
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 124961073) is N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1.
What is the InChIKey of N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is GYWTWXDYMZGAFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-24(13-15-7-4-3-5-8-15)20(27)17-11-21-23-19(17)16-9-6-10-25(14-16)18(26)12-22-30(2,28)29/h3-5,7-8,11,16,22H,6,9-10,12-14H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124961073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).