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

C23H26N4O3 — CID 156584833

IUPAC1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C23H26N4O3/c1-25-13-10-20(28)22(30-17-19-6-3-2-4-7-19)21(25)23(29)26-14-8-18(9-15-26)16-27-12-5-11-24-27/h2-7,10-13,18H,8-9,14-17H2,1H3
InChIKeyLLWUWWUOIWRSRD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.71
Rot. Bonds6

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

1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one (PubChem CID 156584833) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
PubChem CID156584833
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C23H26N4O3/c1-25-13-10-20(28)22(30-17-19-6-3-2-4-7-19)21(25)23(29)26-14-8-18(9-15-26)16-27-12-5-11-24-27/h2-7,10-13,18H,8-9,14-17H2,1H3
InChIKeyLLWUWWUOIWRSRD-UHFFFAOYSA-N
XLogP2.71
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162632752
(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 164691958
1-methyl-3-phenylmethoxy-2-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162630251
1-methyl-3-phenylmethoxy-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-4-one
CID 157014373
2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one
CID 156583523
9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 162634339
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
CID 162629624
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170506152
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one?
The IUPAC name of 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one (CID 156584833) is 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one?
The canonical SMILES for 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one is Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one?
The InChIKey is LLWUWWUOIWRSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-25-13-10-20(28)22(30-17-19-6-3-2-4-7-19)21(25)23(29)26-14-8-18(9-15-26)16-27-12-5-11-24-27/h2-7,10-13,18H,8-9,14-17H2,1H3.
What are the key properties of 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one?
1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one is sourced from PubChem (CID 156584833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).