N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide

C20H24N4O2 — CID 129344407

IUPACN-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(Cc3c(C)oc4ccccc34)C2)n1
InChIInChI=1S/C20H24N4O2/c1-14-17(16-7-3-4-8-19(16)26-14)13-23-10-5-6-15(12-23)24-11-9-18(22-24)20(25)21-2/h3-4,7-9,11,15H,5-6,10,12-13H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyZIKUHMDVUQXIND-HNNXBMFYSA-N
MW352.44 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129344407) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129344407
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(Cc3c(C)oc4ccccc34)C2)n1
InChIInChI=1S/C20H24N4O2/c1-14-17(16-7-3-4-8-19(16)26-14)13-23-10-5-6-15(12-23)24-11-9-18(22-24)20(25)21-2/h3-4,7-9,11,15H,5-6,10,12-13H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyZIKUHMDVUQXIND-HNNXBMFYSA-N
XLogP3.13
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129475944
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142
N-methyl-1-[(3R)-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129477222
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 129344407) is N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn([C@H]2CCCN(Cc3c(C)oc4ccccc34)C2)n1.
What is the InChIKey of N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is ZIKUHMDVUQXIND-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-17(16-7-3-4-8-19(16)26-14)13-23-10-5-6-15(12-23)24-11-9-18(22-24)20(25)21-2/h3-4,7-9,11,15H,5-6,10,12-13H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).