N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C18H24N4O — CID 126426695

IUPACN-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1ccc([C@H]2CCCNC2)n1
InChIInChI=1S/C18H24N4O/c1-14-5-2-3-6-15(14)12-20-18(23)13-22-10-8-17(21-22)16-7-4-9-19-11-16/h2-3,5-6,8,10,16,19H,4,7,9,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyBMGXWUMOWWGXHI-INIZCTEOSA-N
MW312.42 g/mol
LogP1.97
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126426695) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126426695
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1ccc([C@H]2CCCNC2)n1
InChIInChI=1S/C18H24N4O/c1-14-5-2-3-6-15(14)12-20-18(23)13-22-10-8-17(21-22)16-7-4-9-19-11-16/h2-3,5-6,8,10,16,19H,4,7,9,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyBMGXWUMOWWGXHI-INIZCTEOSA-N
XLogP1.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069734
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126431927
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126426695) is N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is Cc1ccccc1CNC(=O)Cn1ccc([C@H]2CCCNC2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is BMGXWUMOWWGXHI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-5-2-3-6-15(14)12-20-18(23)13-22-10-8-17(21-22)16-7-4-9-19-11-16/h2-3,5-6,8,10,16,19H,4,7,9,11-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126426695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).