(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide

C23H35N3O2 — CID 100853149

About (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 100853149) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 100853149
• Molecular Formula: C23H35N3O2
• Molecular Weight: 385.55 g/mol
• Exact Mass: 385.27
• IUPAC Name: (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
• SMILES: CC(=O)N1CCC[C@H](C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)C1
• InChI: InChI=1S/C23H35N3O2/c1-17-11-18(2)14-25(13-17)15-21-8-6-20(7-9-21)12-24-23(28)22-5-4-10-26(16-22)19(3)27/h6-9,17-18,22H,4-5,10-16H2,1-3H3,(H,24,28)/t17-,18-,22+/m1/s1
• InChIKey: FHJPXSDTXHEUKG-HMFYCAOWSA-N
• XLogP: 3.04
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.55
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 100853149) is (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)C1.

What is the InChIKey of (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is FHJPXSDTXHEUKG-HMFYCAOWSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-11-18(2)14-25(13-17)15-21-8-6-20(7-9-21)12-24-23(28)22-5-4-10-26(16-22)19(3)27/h6-9,17-18,22H,4-5,10-16H2,1-3H3,(H,24,28)/t17-,18-,22+/m1/s1.

What are the key properties of (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?

(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 100853149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).