1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide

C13H19F3N2O3 — CID 103726431

IUPAC1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)7-17-11(20)8-3-5-18(6-4-8)12(21)9-1-2-9/h8-10,19H,1-7H2,(H,17,20)
InChIKeyQOOUIXGBIIBKAD-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.67
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 103726431) 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-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
PubChem CID103726431
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)7-17-11(20)8-3-5-18(6-4-8)12(21)9-1-2-9/h8-10,19H,1-7H2,(H,17,20)
InChIKeyQOOUIXGBIIBKAD-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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Related Compounds

N-(2-Hydroxyethyl)piperidine-4-carboxamide
CID 2760458
n-(2-Hydroxypropyl)piperidine-4-carboxamide
CID 16769868
2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109
1-methyl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 124199640
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836
N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 138612292
(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 143709555
(3-Hydroxyazetidin-1-yl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 175759264
1-(cyclopropanecarbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722673
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 53605602
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54874244
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54910895

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide (CID 103726431) is 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is QOOUIXGBIIBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)10(19)7-17-11(20)8-3-5-18(6-4-8)12(21)9-1-2-9/h8-10,19H,1-7H2,(H,17,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 103726431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).