N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C22H32N4O3 — CID 24793427

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27)
InChIKeyRXWXOMFJRAEDCG-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.92
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24793427) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24793427
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27)
InChIKeyRXWXOMFJRAEDCG-UHFFFAOYSA-N
XLogP2.92
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-butyltriazol-4-yl)propoxy]-N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-3-methoxybenzamide
CID 73347474
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[[(3R)-6-ethynyl-3,4-dihydro-2H-pyran-3-yl]-propylamino]butyl]-3-methoxybenzamide
CID 122177641
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875077
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
3-Cyclopentyloxy-N-(3,5-dimethyl-pyridin-4-yl)-4-methoxy-benzamide
CID 9974519
3-cyclopentyloxy-4-methoxy-N-pyridin-4-yl-benzamide
CID 10041213
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 658961
N-benzyl-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 2474145
3,4,5-triethoxy-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5431522
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24793427) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is RXWXOMFJRAEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24793427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).