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1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one

C22H24N4O3 — CID 162632752

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c1-25-12-10-19(27)21(29-15-16-5-3-2-4-6-16)20(25)22(28)26-13-8-17(9-14-26)18-7-11-23-24-18/h2-7,10-12,17H,8-9,13-15H2,1H3,(H,23,24)
InChIKeyKYPDEECRTSJKMF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.71
Rot. Bonds5

About 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one

1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one (PubChem CID 162632752) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
PubChem CID162632752
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c1-25-12-10-19(27)21(29-15-16-5-3-2-4-6-16)20(25)22(28)26-13-8-17(9-14-26)18-7-11-23-24-18/h2-7,10-12,17H,8-9,13-15H2,1H3,(H,23,24)
InChIKeyKYPDEECRTSJKMF-UHFFFAOYSA-N
XLogP2.71
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one?
The IUPAC name of 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one (CID 162632752) is 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one?
The canonical SMILES for 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one is Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one?
The InChIKey is KYPDEECRTSJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-12-10-19(27)21(29-15-16-5-3-2-4-6-16)20(25)22(28)26-13-8-17(9-14-26)18-7-11-23-24-18/h2-7,10-12,17H,8-9,13-15H2,1H3,(H,23,24).
What are the key properties of 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one?
1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one has a molecular weight of 392.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one is sourced from PubChem (CID 162632752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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