1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H24N4O3 — CID 24793286

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cnn(C)c2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-22-11-14(10-21-22)9-20-19(25)16-7-8-18(24)23(13-16)12-15-5-3-4-6-17(15)26-2/h3-6,10-11,16H,7-9,12-13H2,1-2H3,(H,20,25)
InChIKeyUCTIVNDJSTWWFR-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.48
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793286) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793286
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cnn(C)c2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-22-11-14(10-21-22)9-20-19(25)16-7-8-18(24)23(13-16)12-15-5-3-4-6-17(15)26-2/h3-6,10-11,16H,7-9,12-13H2,1-2H3,(H,20,25)
InChIKeyUCTIVNDJSTWWFR-UHFFFAOYSA-N
XLogP1.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24793286) is 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cnn(C)c2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UCTIVNDJSTWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-14(10-21-22)9-20-19(25)16-7-8-18(24)23(13-16)12-15-5-3-4-6-17(15)26-2/h3-6,10-11,16H,7-9,12-13H2,1-2H3,(H,20,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).