N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide

C20H26N4O3 — CID 167909689

IUPACN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide
SMILESCN1CCC(n2cc(NC(=O)C3CCOC(c4ccccc4)O3)cn2)CC1
InChIInChI=1S/C20H26N4O3/c1-23-10-7-17(8-11-23)24-14-16(13-21-24)22-19(25)18-9-12-26-20(27-18)15-5-3-2-4-6-15/h2-6,13-14,17-18,20H,7-12H2,1H3,(H,22,25)
InChIKeyRIOLXXZOPOUYNG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide (PubChem CID 167909689) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide
PubChem CID167909689
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide
SMILESCN1CCC(n2cc(NC(=O)C3CCOC(c4ccccc4)O3)cn2)CC1
InChIInChI=1S/C20H26N4O3/c1-23-10-7-17(8-11-23)24-14-16(13-21-24)22-19(25)18-9-12-26-20(27-18)15-5-3-2-4-6-15/h2-6,13-14,17-18,20H,7-12H2,1H3,(H,22,25)
InChIKeyRIOLXXZOPOUYNG-UHFFFAOYSA-N
XLogP2.59
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138010977
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167802741
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
CID 167838097
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-(3-phenylpropyl)-1,4-diazepane-1-carboxamide
CID 166342711

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide (CID 167909689) is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide is CN1CCC(n2cc(NC(=O)C3CCOC(c4ccccc4)O3)cn2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide?
The InChIKey is RIOLXXZOPOUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-10-7-17(8-11-23)24-14-16(13-21-24)22-19(25)18-9-12-26-20(27-18)15-5-3-2-4-6-15/h2-6,13-14,17-18,20H,7-12H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide?
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide is sourced from PubChem (CID 167909689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).