(3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H29N5O2 — CID 92592133

About (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92592133) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92592133
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccnn2C)C1
• InChI: InChI=1S/C25H29N5O2/c1-3-27-24(32)25(12-6-16-30(18-25)23(31)22-11-15-28-29(22)2)17-20-7-4-5-8-21(20)19-9-13-26-14-10-19/h4-5,7-11,13-15H,3,6,12,16-18H2,1-2H3,(H,27,32)/t25-/m1/s1
• InChIKey: PLIOIMXDHFUAKE-RUZDIDTESA-N
• XLogP: 3.08
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92592133) is (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccnn2C)C1.

What is the InChIKey of (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is PLIOIMXDHFUAKE-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-27-24(32)25(12-6-16-30(18-25)23(31)22-11-15-28-29(22)2)17-20-7-4-5-8-21(20)19-9-13-26-14-10-19/h4-5,7-11,13-15H,3,6,12,16-18H2,1-2H3,(H,27,32)/t25-/m1/s1.

What are the key properties of (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92592133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).