N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H28N4O3 — CID 24791453

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCn2nc(C)cc2C)CCC1=O
InChIInChI=1S/C21H28N4O3/c1-15-12-16(2)25(23-15)11-10-22-21(27)18-8-9-20(26)24(14-18)13-17-6-4-5-7-19(17)28-3/h4-7,12,18H,8-11,13-14H2,1-3H3,(H,22,27)
InChIKeyKABVLWUDMKFNPV-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791453) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791453
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCn2nc(C)cc2C)CCC1=O
InChIInChI=1S/C21H28N4O3/c1-15-12-16(2)25(23-15)11-10-22-21(27)18-8-9-20(26)24(14-18)13-17-6-4-5-7-19(17)28-3/h4-7,12,18H,8-11,13-14H2,1-3H3,(H,22,27)
InChIKeyKABVLWUDMKFNPV-UHFFFAOYSA-N
XLogP2.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791453) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCCn2nc(C)cc2C)CCC1=O.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KABVLWUDMKFNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-12-16(2)25(23-15)11-10-22-21(27)18-8-9-20(26)24(14-18)13-17-6-4-5-7-19(17)28-3/h4-7,12,18H,8-11,13-14H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).