N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide

C22H30N4O4 — CID 24790451

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1
InChIInChI=1S/C22H30N4O4/c1-16-14-18(24-25(16)2)15-23-22(28)17-4-6-19(7-5-17)30-20-8-11-26(12-9-20)21(27)10-13-29-3/h4-7,14,20H,8-13,15H2,1-3H3,(H,23,28)
InChIKeyMMFGGDJCKBRDNW-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.06
Rot. Bonds8

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide (PubChem CID 24790451) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
PubChem CID24790451
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1
InChIInChI=1S/C22H30N4O4/c1-16-14-18(24-25(16)2)15-23-22(28)17-4-6-19(7-5-17)30-20-8-11-26(12-9-20)21(27)10-13-29-3/h4-7,14,20H,8-13,15H2,1-3H3,(H,23,28)
InChIKeyMMFGGDJCKBRDNW-UHFFFAOYSA-N
XLogP2.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
N-hydroxy-5-(4-methoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465646
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

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide (CID 24790451) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is MMFGGDJCKBRDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16-14-18(24-25(16)2)15-23-22(28)17-4-6-19(7-5-17)30-20-8-11-26(12-9-20)21(27)10-13-29-3/h4-7,14,20H,8-13,15H2,1-3H3,(H,23,28).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24790451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).