N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C21H30N4O3 — CID 24791783

IUPACN-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C21H30N4O3/c1-16-18(12-23-24(16)2)14-25-10-6-7-17(13-25)11-22-21(26)15-28-20-9-5-4-8-19(20)27-3/h4-5,8-9,12,17H,6-7,10-11,13-15H2,1-3H3,(H,22,26)
InChIKeyYPNHLIVQGDCBEF-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.14
Rot. Bonds8

About N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 24791783) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID24791783
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C21H30N4O3/c1-16-18(12-23-24(16)2)14-25-10-6-7-17(13-25)11-22-21(26)15-28-20-9-5-4-8-19(20)27-3/h4-5,8-9,12,17H,6-7,10-11,13-15H2,1-3H3,(H,22,26)
InChIKeyYPNHLIVQGDCBEF-UHFFFAOYSA-N
XLogP2.14
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-({1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24793254
N-({1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24820102
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-2-phenoxyacetohydrazide
CID 5454904
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 9501828
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45900163
2-[3-[[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 53562916
1-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 53613899
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 71808584
N-{2-[5-cyclopropyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}-2-(4-fluorophenoxy)acetamide
CID 72718676
N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248209
1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 118739614
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 118739632

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 24791783) is N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C)c2C)C1.
What is the InChIKey of N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YPNHLIVQGDCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-18(12-23-24(16)2)14-25-10-6-7-17(13-25)11-22-21(26)15-28-20-9-5-4-8-19(20)27-3/h4-5,8-9,12,17H,6-7,10-11,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 24791783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).