N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

C23H32N4O3 — CID 24817132

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)C2CCC(=O)N(CCc3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C23H32N4O3/c1-5-27-17(3)21(16(2)25-27)14-24-23(29)19-8-11-22(28)26(15-19)13-12-18-6-9-20(30-4)10-7-18/h6-7,9-10,19H,5,8,11-15H2,1-4H3,(H,24,29)
InChIKeyTZKBWHGXCQQDMN-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.63
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817132) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817132
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)C2CCC(=O)N(CCc3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C23H32N4O3/c1-5-27-17(3)21(16(2)25-27)14-24-23(29)19-8-11-22(28)26(15-19)13-12-18-6-9-20(30-4)10-7-18/h6-7,9-10,19H,5,8,11-15H2,1-4H3,(H,24,29)
InChIKeyTZKBWHGXCQQDMN-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307435
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
2-(1-ethyl-4-(4-methoxyphenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880346
(R)-2-((R)-1-ethyl-3-methyl-4-(p-tolyloxymethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880450
N-isopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 1489927
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 3774757
N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7831121
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270241

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817132) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide is CCn1nc(C)c(CNC(=O)C2CCC(=O)N(CCc3ccc(OC)cc3)C2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is TZKBWHGXCQQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-27-17(3)21(16(2)25-27)14-24-23(29)19-8-11-22(28)26(15-19)13-12-18-6-9-20(30-4)10-7-18/h6-7,9-10,19H,5,8,11-15H2,1-4H3,(H,24,29).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).