1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C26H33N3O2 — CID 110231737

About 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231737) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 110231737
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)C2CCC2)C1
• InChI: InChI=1S/C26H33N3O2/c1-19(2)28-25(31)26(13-6-16-29(18-26)24(30)21-8-5-9-21)17-22-7-3-4-10-23(22)20-11-14-27-15-12-20/h3-4,7,10-12,14-15,19,21H,5-6,8-9,13,16-18H2,1-2H3,(H,28,31)
• InChIKey: OJYWMSVAOQCNFK-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231737) is 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)C2CCC2)C1.

What is the InChIKey of 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is OJYWMSVAOQCNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19(2)28-25(31)26(13-6-16-29(18-26)24(30)21-8-5-9-21)17-22-7-3-4-10-23(22)20-11-14-27-15-12-20/h3-4,7,10-12,14-15,19,21H,5-6,8-9,13,16-18H2,1-2H3,(H,28,31).

What are the key properties of 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).