1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H26N4O3 — CID 24817121

IUPAC1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCn3ccc(C)n3)CCC2=O)c1
InChIInChI=1S/C20H26N4O3/c1-15-8-10-24(22-15)11-9-21-20(26)17-6-7-19(25)23(14-17)13-16-4-3-5-18(12-16)27-2/h3-5,8,10,12,17H,6-7,9,11,13-14H2,1-2H3,(H,21,26)
InChIKeyUKSVODGWDNLSGE-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.76
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817121) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817121
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCn3ccc(C)n3)CCC2=O)c1
InChIInChI=1S/C20H26N4O3/c1-15-8-10-24(22-15)11-9-21-20(26)17-6-7-19(25)23(14-17)13-16-4-3-5-18(12-16)27-2/h3-5,8,10,12,17H,6-7,9,11,13-14H2,1-2H3,(H,21,26)
InChIKeyUKSVODGWDNLSGE-UHFFFAOYSA-N
XLogP1.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817121) is 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCCn3ccc(C)n3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UKSVODGWDNLSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-8-10-24(22-15)11-9-21-20(26)17-6-7-19(25)23(14-17)13-16-4-3-5-18(12-16)27-2/h3-5,8,10,12,17H,6-7,9,11,13-14H2,1-2H3,(H,21,26).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).