N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide

C20H28N4O3 — CID 92613112

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cn(C)nc3C)C2)c1
InChIInChI=1S/C20H28N4O3/c1-15-19(12-23(2)22-15)21-20(25)13-24-9-5-6-16(11-24)14-27-18-8-4-7-17(10-18)26-3/h4,7-8,10,12,16H,5-6,9,11,13-14H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyZTHDJCUYLISPIP-MRXNPFEDSA-N
MW372.47 g/mol
LogP2.47
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide (PubChem CID 92613112) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide
PubChem CID92613112
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cn(C)nc3C)C2)c1
InChIInChI=1S/C20H28N4O3/c1-15-19(12-23(2)22-15)21-20(25)13-24-9-5-6-16(11-24)14-27-18-8-4-7-17(10-18)26-3/h4,7-8,10,12,16H,5-6,9,11,13-14H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyZTHDJCUYLISPIP-MRXNPFEDSA-N
XLogP2.47
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972373
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide (CID 92613112) is N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide is COc1cccc(OC[C@@H]2CCCN(CC(=O)Nc3cn(C)nc3C)C2)c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide?
The InChIKey is ZTHDJCUYLISPIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-19(12-23(2)22-15)21-20(25)13-24-9-5-6-16(11-24)14-27-18-8-4-7-17(10-18)26-3/h4,7-8,10,12,16H,5-6,9,11,13-14H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 92613112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).