N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide

C17H22N4O — CID 92608066

IUPACN-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN1CCC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-20-10-2-4-16(13-20)19-17(22)15-7-5-14(6-8-15)12-21-11-3-9-18-21/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyVDLFJRDBVJXOMF-MRXNPFEDSA-N
MW298.39 g/mol
LogP1.76
Rot. Bonds4

About N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide

N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 92608066) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID92608066
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN1CCC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-20-10-2-4-16(13-20)19-17(22)15-7-5-14(6-8-15)12-21-11-3-9-18-21/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyVDLFJRDBVJXOMF-MRXNPFEDSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
CID 155557232
CID 155557232
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isopropylbenzamide
CID 658362
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 25122012
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 56658415

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide (CID 92608066) is N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide is CN1CCC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VDLFJRDBVJXOMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-10-2-4-16(13-20)19-17(22)15-7-5-14(6-8-15)12-21-11-3-9-18-21/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 92608066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).