2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide

C19H32N4O2 — CID 128989291

IUPAC2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
SMILESCN1CCC[C@@H](CNC(=O)COC2CCCCC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C19H32N4O2/c1-22-12-6-7-15(19(22)17-10-11-21-23(17)2)13-20-18(24)14-25-16-8-4-3-5-9-16/h10-11,15-16,19H,3-9,12-14H2,1-2H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyRVARHMPFTKPOTH-HNAYVOBHSA-N
MW348.49 g/mol
LogP2.27
Rot. Bonds6

About 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide

2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 128989291) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
PubChem CID128989291
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
SMILESCN1CCC[C@@H](CNC(=O)COC2CCCCC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C19H32N4O2/c1-22-12-6-7-15(19(22)17-10-11-21-23(17)2)13-20-18(24)14-25-16-8-4-3-5-9-16/h10-11,15-16,19H,3-9,12-14H2,1-2H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyRVARHMPFTKPOTH-HNAYVOBHSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
CID 128989481
2-cyano-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 128984602
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128989490
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
CID 128984974
2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 154736804
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 128989386
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972925

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide (CID 128989291) is 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide is CN1CCC[C@@H](CNC(=O)COC2CCCCC2)[C@@H]1c1ccnn1C.
What is the InChIKey of 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is RVARHMPFTKPOTH-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-22-12-6-7-15(19(22)17-10-11-21-23(17)2)13-20-18(24)14-25-16-8-4-3-5-9-16/h10-11,15-16,19H,3-9,12-14H2,1-2H3,(H,20,24)/t15-,19+/m0/s1.
What are the key properties of 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 128989291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).