1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide

C20H24N4O3 — CID 24790440

IUPAC1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(-n2cc(CNC(=O)C3CCC(=O)N(C4CC4)C3)cn2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(9-18)24-12-14(11-22-24)10-21-20(26)15-5-8-19(25)23(13-15)16-6-7-16/h2-4,9,11-12,15-16H,5-8,10,13H2,1H3,(H,21,26)
InChIKeyGMUQFFULYKZWIY-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.90
Rot. Bonds6

About 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790440) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790440
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(-n2cc(CNC(=O)C3CCC(=O)N(C4CC4)C3)cn2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(9-18)24-12-14(11-22-24)10-21-20(26)15-5-8-19(25)23(13-15)16-6-7-16/h2-4,9,11-12,15-16H,5-8,10,13H2,1H3,(H,21,26)
InChIKeyGMUQFFULYKZWIY-UHFFFAOYSA-N
XLogP1.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24791174
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
1-(2-ethoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819456
1-(3-methoxybenzyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24790803
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24791711
1-(3-methoxybenzyl)-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817121
(3R,5R)-N-(3-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134807055
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24792064
1-(2-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793286

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 24790440) is 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(-n2cc(CNC(=O)C3CCC(=O)N(C4CC4)C3)cn2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GMUQFFULYKZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(9-18)24-12-14(11-22-24)10-21-20(26)15-5-8-19(25)23(13-15)16-6-7-16/h2-4,9,11-12,15-16H,5-8,10,13H2,1H3,(H,21,26).
What are the key properties of 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).