N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

C15H24N4O3 — CID 171992887

IUPACN-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(CC3COCCO3)C2)n1
InChIInChI=1S/C15H24N4O3/c1-18-6-4-14(17-18)15(20)16-12-3-2-5-19(9-12)10-13-11-21-7-8-22-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,20)
InChIKeyITJLERDEEPVTSB-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.03
Rot. Bonds4

About N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171992887) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171992887
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(CC3COCCO3)C2)n1
InChIInChI=1S/C15H24N4O3/c1-18-6-4-14(17-18)15(20)16-12-3-2-5-19(9-12)10-13-11-21-7-8-22-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,20)
InChIKeyITJLERDEEPVTSB-UHFFFAOYSA-N
XLogP0.03
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 171993861
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 126816532
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
CID 110128062
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171992887) is N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCCN(CC3COCCO3)C2)n1.
What is the InChIKey of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ITJLERDEEPVTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-6-4-14(17-18)15(20)16-12-3-2-5-19(9-12)10-13-11-21-7-8-22-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,20).
What are the key properties of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171992887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).