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

C20H28N4O2 — CID 128984529

IUPAC2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C20H28N4O2/c1-23-11-5-7-16(20(23)18-9-10-22-24(18)2)14-21-19(25)13-15-6-4-8-17(12-15)26-3/h4,6,8-10,12,16,20H,5,7,11,13-14H2,1-3H3,(H,21,25)/t16-,20+/m0/s1
InChIKeyFPTJUINTILFFRO-OXJNMPFZSA-N
MW356.47 g/mol
LogP2.17
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 128984529) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
PubChem CID128984529
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C20H28N4O2/c1-23-11-5-7-16(20(23)18-9-10-22-24(18)2)14-21-19(25)13-15-6-4-8-17(12-15)26-3/h4,6,8-10,12,16,20H,5,7,11,13-14H2,1-3H3,(H,21,25)/t16-,20+/m0/s1
InChIKeyFPTJUINTILFFRO-OXJNMPFZSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128989291
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
CID 128989265
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
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
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
1-[(3-methoxyphenyl)methyl]-3-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111794635
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
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide (CID 128984529) is 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide is COc1cccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is FPTJUINTILFFRO-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-11-5-7-16(20(23)18-9-10-22-24(18)2)14-21-19(25)13-15-6-4-8-17(12-15)26-3/h4,6,8-10,12,16,20H,5,7,11,13-14H2,1-3H3,(H,21,25)/t16-,20+/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide?
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 128984529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).