2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide

C24H34N4O — CID 95868809

IUPAC2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
SMILESCn1cc(CN2CCCC[C@@H]2CC(N)=O)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C24H34N4O/c1-27-16-21(17-28-14-6-5-9-22(28)15-23(25)29)24(26-27)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h10-13,16,18,22H,2-9,14-15,17H2,1H3,(H2,25,29)/t22-/m1/s1
InChIKeyKKCWQALGPKGGOW-JOCHJYFZSA-N
MW394.56 g/mol
LogP4.36
Rot. Bonds6

About 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide

2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide (PubChem CID 95868809) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
PubChem CID95868809
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
SMILESCn1cc(CN2CCCC[C@@H]2CC(N)=O)c(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C24H34N4O/c1-27-16-21(17-28-14-6-5-9-22(28)15-23(25)29)24(26-27)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h10-13,16,18,22H,2-9,14-15,17H2,1H3,(H2,25,29)/t22-/m1/s1
InChIKeyKKCWQALGPKGGOW-JOCHJYFZSA-N
XLogP4.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetate
CID 25382149
3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42244283
4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 45177785
(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25288969
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45241479
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45182675
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
CID 97157820
(2S)-2-(4-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]azepane
CID 92878029

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide (CID 95868809) is 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide is Cn1cc(CN2CCCC[C@@H]2CC(N)=O)c(-c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide?
The InChIKey is KKCWQALGPKGGOW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N4O/c1-27-16-21(17-28-14-6-5-9-22(28)15-23(25)29)24(26-27)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h10-13,16,18,22H,2-9,14-15,17H2,1H3,(H2,25,29)/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 95868809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).