N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C23H34N4O2 — CID 134057490

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2c(C)nn(C)c2C)N2CCCCC2)cc1
InChIInChI=1S/C23H34N4O2/c1-17-21(18(2)26(3)25-17)12-13-23(28)24-16-22(27-14-6-5-7-15-27)19-8-10-20(29-4)11-9-19/h8-11,22H,5-7,12-16H2,1-4H3,(H,24,28)
InChIKeyRBHWCJDDWZHTOL-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 134057490) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID134057490
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2c(C)nn(C)c2C)N2CCCCC2)cc1
InChIInChI=1S/C23H34N4O2/c1-17-21(18(2)26(3)25-17)12-13-23(28)24-16-22(27-14-6-5-7-15-27)19-8-10-20(29-4)11-9-19/h8-11,22H,5-7,12-16H2,1-4H3,(H,24,28)
InChIKeyRBHWCJDDWZHTOL-UHFFFAOYSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide 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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 41138395
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 26288192
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40776120
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 134057490) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(C(CNC(=O)CCc2c(C)nn(C)c2C)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RBHWCJDDWZHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17-21(18(2)26(3)25-17)12-13-23(28)24-16-22(27-14-6-5-7-15-27)19-8-10-20(29-4)11-9-19/h8-11,22H,5-7,12-16H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 134057490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).