4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide

C24H33N3O3 — CID 86954989

IUPAC4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H33N3O3/c1-6-20-21(16(3)28)15(2)26-22(20)24(29)25-14-18-8-7-13-27(4)23(18)17-9-11-19(30-5)12-10-17/h9-12,18,23,26H,6-8,13-14H2,1-5H3,(H,25,29)
InChIKeyJXYYAPUNKGYDKT-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.91
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 86954989) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID86954989
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H33N3O3/c1-6-20-21(16(3)28)15(2)26-22(20)24(29)25-14-18-8-7-13-27(4)23(18)17-9-11-19(30-5)12-10-17/h9-12,18,23,26H,6-8,13-14H2,1-5H3,(H,25,29)
InChIKeyJXYYAPUNKGYDKT-UHFFFAOYSA-N
XLogP3.91
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 86954919
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
2-(3-acetylphenoxy)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954979
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methyl-3-nitrobenzamide
CID 86955076
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86954987
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 86954989) is 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is JXYYAPUNKGYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-6-20-21(16(3)28)15(2)26-22(20)24(29)25-14-18-8-7-13-27(4)23(18)17-9-11-19(30-5)12-10-17/h9-12,18,23,26H,6-8,13-14H2,1-5H3,(H,25,29).
What are the key properties of 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86954989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).