(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide

C23H36N4O2 — CID 30736001

IUPAC(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-13-18(2)15-27(14-17)22(28)16-25-9-11-26(12-10-25)20(4)23(29)24-21-8-6-5-7-19(21)3/h5-8,17-18,20H,9-16H2,1-4H3,(H,24,29)/t17-,18-,20+/m1/s1
InChIKeyLSCKNPPOYGRNDN-GGPKGHCWSA-N
MW400.57 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide

(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 30736001) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID30736001
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-13-18(2)15-27(14-17)22(28)16-25-9-11-26(12-10-25)20(4)23(29)24-21-8-6-5-7-19(21)3/h5-8,17-18,20H,9-16H2,1-4H3,(H,24,29)/t17-,18-,20+/m1/s1
InChIKeyLSCKNPPOYGRNDN-GGPKGHCWSA-N
XLogP2.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide 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 (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide (CID 30736001) is (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1.
What is the InChIKey of (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is LSCKNPPOYGRNDN-GGPKGHCWSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17-13-18(2)15-27(14-17)22(28)16-25-9-11-26(12-10-25)20(4)23(29)24-21-8-6-5-7-19(21)3/h5-8,17-18,20H,9-16H2,1-4H3,(H,24,29)/t17-,18-,20+/m1/s1.
What are the key properties of (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 400.57 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 30736001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).