N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide

C25H36F3N5O2 — CID 143229564

About N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide

N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide (PubChem CID 143229564) has the molecular formula C25H36F3N5O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide
• PubChem CID: 143229564
• Molecular Formula: C25H36F3N5O2
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.28
• IUPAC Name: N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide
• SMILES: O=CN(CCC1CCCN(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1)C1CCCCC1
• InChI: InChI=1S/C25H36F3N5O2/c26-25(27,28)21-8-9-23(29-17-21)30-13-15-31(16-14-30)24(35)32-11-4-5-20(18-32)10-12-33(19-34)22-6-2-1-3-7-22/h8-9,17,19-20,22H,1-7,10-16,18H2
• InChIKey: LHOBJVYOMJSZSP-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 59.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide?

The IUPAC name of N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide (CID 143229564) is N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide.

What is the SMILES notation for N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide?

The canonical SMILES for N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide is O=CN(CCC1CCCN(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide?

The InChIKey is LHOBJVYOMJSZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N5O2/c26-25(27,28)21-8-9-23(29-17-21)30-13-15-31(16-14-30)24(35)32-11-4-5-20(18-32)10-12-33(19-34)22-6-2-1-3-7-22/h8-9,17,19-20,22H,1-7,10-16,18H2.

What are the key properties of N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide?

N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide has a molecular weight of 495.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide is sourced from PubChem (CID 143229564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).