(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

C27H35N3O3 — CID 124966660

About (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124966660) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 124966660
• Molecular Formula: C27H35N3O3
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.27
• IUPAC Name: (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: Cc1cc(C)cc(C2(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)CCOCC2)c1
• InChI: InChI=1S/C27H35N3O3/c1-20-16-21(2)18-22(17-20)26(10-14-33-15-11-26)25(32)30-13-7-9-27(19-30,24(31)29(3)4)23-8-5-6-12-28-23/h5-6,8,12,16-18H,7,9-11,13-15,19H2,1-4H3/t27-/m1/s1
• InChIKey: INIQRKBYKPFLFO-HHHXNRCGSA-N
• XLogP: 3.40
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124966660) is (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is Cc1cc(C)cc(C2(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)CCOCC2)c1.

What is the InChIKey of (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is INIQRKBYKPFLFO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-20-16-21(2)18-22(17-20)26(10-14-33-15-11-26)25(32)30-13-7-9-27(19-30,24(31)29(3)4)23-8-5-6-12-28-23/h5-6,8,12,16-18H,7,9-11,13-15,19H2,1-4H3/t27-/m1/s1.

What are the key properties of (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?

(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124966660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).