2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide

C19H32N4O — CID 92623846

IUPAC2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide
SMILESCN(Cc1cc([C@H]2CCCNC2)nn1C)C(=O)CC1CCCCC1
InChIInChI=1S/C19H32N4O/c1-22(19(24)11-15-7-4-3-5-8-15)14-17-12-18(21-23(17)2)16-9-6-10-20-13-16/h12,15-16,20H,3-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyVGKIHHUQBSXBCZ-INIZCTEOSA-N
MW332.49 g/mol
LogP2.82
Rot. Bonds5

About 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide

2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide (PubChem CID 92623846) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide
PubChem CID92623846
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide
SMILESCN(Cc1cc([C@H]2CCCNC2)nn1C)C(=O)CC1CCCCC1
InChIInChI=1S/C19H32N4O/c1-22(19(24)11-15-7-4-3-5-8-15)14-17-12-18(21-23(17)2)16-9-6-10-20-13-16/h12,15-16,20H,3-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyVGKIHHUQBSXBCZ-INIZCTEOSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]propanamide
CID 92623880
2-(1-methyl-3-piperidin-3-ylpyrazol-5-yl)ethanol;dihydrochloride
CID 71298828
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 110259661
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
1-[(1-methyl-3-piperidin-3-ylpyrazol-5-yl)methyl]piperidine
CID 172524135
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
CID 92624506
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
CID 98129348
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide (CID 92623846) is 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide is CN(Cc1cc([C@H]2CCCNC2)nn1C)C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide?
The InChIKey is VGKIHHUQBSXBCZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N4O/c1-22(19(24)11-15-7-4-3-5-8-15)14-17-12-18(21-23(17)2)16-9-6-10-20-13-16/h12,15-16,20H,3-11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide?
2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 92623846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).