1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H26F3N3O2 — CID 45203001

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24)
InChIKeyYGBZPUUWYZAYHL-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.78
Rot. Bonds4

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 45203001) has the molecular formula C17H26F3N3O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID45203001
Molecular FormulaC17H26F3N3O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24)
InChIKeyYGBZPUUWYZAYHL-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 45203001) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YGBZPUUWYZAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45203001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).