N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide

C22H30N4O4 — CID 46969361

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
SMILESCCN1CCC(n2nccc2NC(=O)CCc2cc3c(cc2OC)OCCO3)CC1
InChIInChI=1S/C22H30N4O4/c1-3-25-10-7-17(8-11-25)26-21(6-9-23-26)24-22(27)5-4-16-14-19-20(15-18(16)28-2)30-13-12-29-19/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3,(H,24,27)
InChIKeyBOUOYNPTWGCOFR-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide (PubChem CID 46969361) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
PubChem CID46969361
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
SMILESCCN1CCC(n2nccc2NC(=O)CCc2cc3c(cc2OC)OCCO3)CC1
InChIInChI=1S/C22H30N4O4/c1-3-25-10-7-17(8-11-25)26-21(6-9-23-26)24-22(27)5-4-16-14-19-20(15-18(16)28-2)30-13-12-29-19/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3,(H,24,27)
InChIKeyBOUOYNPTWGCOFR-UHFFFAOYSA-N
XLogP2.89
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide
CID 86883874
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 8845555
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118782597
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
CID 120640533
(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595159
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide (CID 46969361) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide is CCN1CCC(n2nccc2NC(=O)CCc2cc3c(cc2OC)OCCO3)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The InChIKey is BOUOYNPTWGCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-25-10-7-17(8-11-25)26-21(6-9-23-26)24-22(27)5-4-16-14-19-20(15-18(16)28-2)30-13-12-29-19/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide is sourced from PubChem (CID 46969361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).