1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide

C14H22F2N2O3 — CID 107482461

IUPAC1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CC1)N1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C14H22F2N2O3/c15-12(16)9-18(7-8-19)14(21)11-3-5-17(6-4-11)13(20)10-1-2-10/h10-12,19H,1-9H2
InChIKeyMILALUQYUGAUON-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.72
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 107482461) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID107482461
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CC1)N1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C14H22F2N2O3/c15-12(16)9-18(7-8-19)14(21)11-3-5-17(6-4-11)13(20)10-1-2-10/h10-12,19H,1-9H2
InChIKeyMILALUQYUGAUON-UHFFFAOYSA-N
XLogP0.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 67404025
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
CID 178001085
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54874244
4,4,4-Trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 65710971
Pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
CID 75507561
N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78886607
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78896670
pyrrolidin-1-yl-[1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833115
pyrrolidin-1-yl-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833116
1-(cyclopropanecarbonyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103726431
1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103769979
1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 103915388

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 107482461) is 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(C1CC1)N1CCC(C(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is MILALUQYUGAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c15-12(16)9-18(7-8-19)14(21)11-3-5-17(6-4-11)13(20)10-1-2-10/h10-12,19H,1-9H2.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 107482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).