1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C13H19F3N2O3 — CID 103723063

IUPAC1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)6-17-11(20)9-2-1-5-18(7-9)12(21)8-3-4-8/h8-10,19H,1-7H2,(H,17,20)
InChIKeyBJWFQPBLEKOIRF-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.67
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103723063) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103723063
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)6-17-11(20)9-2-1-5-18(7-9)12(21)8-3-4-8/h8-10,19H,1-7H2,(H,17,20)
InChIKeyBJWFQPBLEKOIRF-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103723063) is 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is BJWFQPBLEKOIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)6-17-11(20)9-2-1-5-18(7-9)12(21)8-3-4-8/h8-10,19H,1-7H2,(H,17,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103723063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).