[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone

C19H25N3O3 — CID 111433081

IUPAC[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
SMILESCOc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c(C)nn1C
InChIInChI=1S/C19H25N3O3/c1-13-16(19(25-3)21(2)20-13)18(24)22-11-9-15(10-12-22)17(23)14-7-5-4-6-8-14/h4-8,15,17,23H,9-12H2,1-3H3
InChIKeyVYDYACLCIFFBHD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds4

About [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 111433081) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
PubChem CID111433081
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
SMILESCOc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c(C)nn1C
InChIInChI=1S/C19H25N3O3/c1-13-16(19(25-3)21(2)20-13)18(24)22-11-9-15(10-12-22)17(23)14-7-5-4-6-8-14/h4-8,15,17,23H,9-12H2,1-3H3
InChIKeyVYDYACLCIFFBHD-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
(5-methoxy-1,3-dimethylpyrazol-4-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
CID 136553841
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 164636981
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060141
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone (CID 111433081) is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone is COc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c(C)nn1C.
What is the InChIKey of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is VYDYACLCIFFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-16(19(25-3)21(2)20-13)18(24)22-11-9-15(10-12-22)17(23)14-7-5-4-6-8-14/h4-8,15,17,23H,9-12H2,1-3H3.
What are the key properties of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 111433081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).