2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide

C19H25ClF3N5O2 — CID 86955164

About 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide

2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide (PubChem CID 86955164) has the molecular formula C19H25ClF3N5O2 and a molecular weight of 447.89 g/mol. Its IUPAC name is 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide
• PubChem CID: 86955164
• Molecular Formula: C19H25ClF3N5O2
• Molecular Weight: 447.89 g/mol
• Exact Mass: 447.16
• IUPAC Name: 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide
• SMILES: CC(C(N)=O)N1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1
• InChI: InChI=1S/C19H25ClF3N5O2/c1-12(16(24)29)26-6-8-28(9-7-26)18(30)13-2-4-27(5-3-13)17-15(20)10-14(11-25-17)19(21,22)23/h10-13H,2-9H2,1H3,(H2,24,29)
• InChIKey: HSQKEQBXYFBOSL-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 82.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.89
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide?

The IUPAC name of 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide (CID 86955164) is 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide.

What is the SMILES notation for 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide?

The canonical SMILES for 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1.

What is the InChIKey of 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide?

The InChIKey is HSQKEQBXYFBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF3N5O2/c1-12(16(24)29)26-6-8-28(9-7-26)18(30)13-2-4-27(5-3-13)17-15(20)10-14(11-25-17)19(21,22)23/h10-13H,2-9H2,1H3,(H2,24,29).

What are the key properties of 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide?

2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 447.89 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 86955164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).