5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one

C22H31N3O3 — CID 68618674

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC3CCCN(C)C3)[nH]2)cc1OC1CCCC1
InChIInChI=1S/C22H31N3O3/c1-24-11-5-6-16(14-24)15-25-22(26)13-19(23-25)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h9-10,12-13,16,18,23H,3-8,11,14-15H2,1-2H3
InChIKeyOVTAQYMNADBTHQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.52
Rot. Bonds6

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one

5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one (PubChem CID 68618674) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one
PubChem CID68618674
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC3CCCN(C)C3)[nH]2)cc1OC1CCCC1
InChIInChI=1S/C22H31N3O3/c1-24-11-5-6-16(14-24)15-25-22(26)13-19(23-25)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h9-10,12-13,16,18,23H,3-8,11,14-15H2,1-2H3
InChIKeyOVTAQYMNADBTHQ-UHFFFAOYSA-N
XLogP3.52
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one (CID 68618674) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one is COc1ccc(-c2cc(=O)n(CC3CCCN(C)C3)[nH]2)cc1OC1CCCC1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one?
The InChIKey is OVTAQYMNADBTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-24-11-5-6-16(14-24)15-25-22(26)13-19(23-25)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18/h9-10,12-13,16,18,23H,3-8,11,14-15H2,1-2H3.
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one?
5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one has a molecular weight of 385.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 68618674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).