(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

C16H23N5O2S — CID 97236489

About (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 97236489) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 97236489
• Molecular Formula: C16H23N5O2S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.16
• IUPAC Name: (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
• SMILES: Cc1cnc(CNC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)s1
• InChI: InChI=1S/C16H23N5O2S/c1-11-8-18-13(24-11)9-19-16(23)21-6-3-4-12(10-21)14(22)15-17-5-7-20(15)2/h5,7-8,12,14,22H,3-4,6,9-10H2,1-2H3,(H,19,23)/t12-,14+/m1/s1
• InChIKey: BKTZOXHRHWWDFP-OCCSQVGLSA-N
• XLogP: 1.84
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (CID 97236489) is (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is Cc1cnc(CNC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)s1.

What is the InChIKey of (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?

The InChIKey is BKTZOXHRHWWDFP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-8-18-13(24-11)9-19-16(23)21-6-3-4-12(10-21)14(22)15-17-5-7-20(15)2/h5,7-8,12,14,22H,3-4,6,9-10H2,1-2H3,(H,19,23)/t12-,14+/m1/s1.

What are the key properties of (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?

(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97236489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).