N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide

C24H32N2O2 — CID 126428240

About N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide (PubChem CID 126428240) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
• PubChem CID: 126428240
• Molecular Formula: C24H32N2O2
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.25
• IUPAC Name: N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
• SMILES: Cc1cc(C)c(-c2ccc(C(=O)NCCN3CCC[C@@H](CO)C3)cc2)cc1C
• InChI: InChI=1S/C24H32N2O2/c1-17-13-19(3)23(14-18(17)2)21-6-8-22(9-7-21)24(28)25-10-12-26-11-4-5-20(15-26)16-27/h6-9,13-14,20,27H,4-5,10-12,15-16H2,1-3H3,(H,25,28)/t20-/m1/s1
• InChIKey: PHEXSRVYKHRENY-HXUWFJFHSA-N
• XLogP: 3.71
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide?

The IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide (CID 126428240) is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide.

What is the SMILES notation for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide?

The canonical SMILES for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide is Cc1cc(C)c(-c2ccc(C(=O)NCCN3CCC[C@@H](CO)C3)cc2)cc1C.

What is the InChIKey of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide?

The InChIKey is PHEXSRVYKHRENY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17-13-19(3)23(14-18(17)2)21-6-8-22(9-7-21)24(28)25-10-12-26-11-4-5-20(15-26)16-27/h6-9,13-14,20,27H,4-5,10-12,15-16H2,1-3H3,(H,25,28)/t20-/m1/s1.

What are the key properties of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide?

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide has a molecular weight of 380.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide is sourced from PubChem (CID 126428240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).