N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide

C21H30N4O2 — CID 66928187

IUPACN-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)c(-c2ccnn2C)c1
InChIInChI=1S/C21H30N4O2/c1-15-6-5-7-16(2)25(15)12-13-27-21-9-8-18(23-17(3)26)14-19(21)20-10-11-22-24(20)4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,23,26)/t15-,16+
InChIKeyLZFJWWCZXRAWDR-IYBDPMFKSA-N
MW370.50 g/mol
LogP3.69
Rot. Bonds6

About N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide

N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide (PubChem CID 66928187) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
PubChem CID66928187
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)c(-c2ccnn2C)c1
InChIInChI=1S/C21H30N4O2/c1-15-6-5-7-16(2)25(15)12-13-27-21-9-8-18(23-17(3)26)14-19(21)20-10-11-22-24(20)4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,23,26)/t15-,16+
InChIKeyLZFJWWCZXRAWDR-IYBDPMFKSA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide (CID 66928187) is N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)c(-c2ccnn2C)c1.
What is the InChIKey of N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is LZFJWWCZXRAWDR-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-6-5-7-16(2)25(15)12-13-27-21-9-8-18(23-17(3)26)14-19(21)20-10-11-22-24(20)4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,23,26)/t15-,16+.
What are the key properties of N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 66928187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).