(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

C26H29N3O2 — CID 58170916

About (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 58170916) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 58170916
• Molecular Formula: C26H29N3O2
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.23
• IUPAC Name: (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
• SMILES: Cn1ccc(C2CCNC[C@@H]2C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1=O
• InChI: InChI=1S/C26H29N3O2/c1-28-13-11-21(15-25(28)30)23-10-12-27-16-24(23)26(31)29(22-8-9-22)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-7,11,13-15,22-24,27H,8-10,12,16-17H2,1H3/t23?,24-/m0/s1
• InChIKey: KUCUGJAUOOOUEK-CGAIIQECSA-N
• XLogP: 3.42
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (CID 58170916) is (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is Cn1ccc(C2CCNC[C@@H]2C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1=O.

What is the InChIKey of (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is KUCUGJAUOOOUEK-CGAIIQECSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-28-13-11-21(15-25(28)30)23-10-12-27-16-24(23)26(31)29(22-8-9-22)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-7,11,13-15,22-24,27H,8-10,12,16-17H2,1H3/t23?,24-/m0/s1.

What are the key properties of (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 58170916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).