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

C18H22N4O3 — CID 136539957

IUPACN-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)C3(C)CCC(=O)NC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-18(9-7-16(23)19-12-18)17(24)20-15-8-10-22(21-15)11-13-3-5-14(25-2)6-4-13/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyRKDACFDVBASSCC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.79
Rot. Bonds5

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

N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 136539957) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide
PubChem CID136539957
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)C3(C)CCC(=O)NC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-18(9-7-16(23)19-12-18)17(24)20-15-8-10-22(21-15)11-13-3-5-14(25-2)6-4-13/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyRKDACFDVBASSCC-UHFFFAOYSA-N
XLogP1.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-[(2R)-2-[[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
CID 129399347
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231223
4-(aminomethyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]oxane-4-carboxamide;dihydrochloride
CID 120940634
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide (CID 136539957) is N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide is COc1ccc(Cn2ccc(NC(=O)C3(C)CCC(=O)NC3)n2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is RKDACFDVBASSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(9-7-16(23)19-12-18)17(24)20-15-8-10-22(21-15)11-13-3-5-14(25-2)6-4-13/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 136539957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).