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

C13H20F2N2O3 — CID 103770129

IUPAC1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H20F2N2O3/c14-11(15)10(18)6-16-12(19)9-2-1-5-17(7-9)13(20)8-3-4-8/h8-11,18H,1-7H2,(H,16,19)
InChIKeyTXTVSHJNDRVDSW-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.38
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103770129) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103770129
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H20F2N2O3/c14-11(15)10(18)6-16-12(19)9-2-1-5-17(7-9)13(20)8-3-4-8/h8-11,18H,1-7H2,(H,16,19)
InChIKeyTXTVSHJNDRVDSW-UHFFFAOYSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 2760459
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 71250574
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide
CID 142439238
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54910895
N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55049436
3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55166812
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131688
N-(2-aminoethyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63900483
2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide
CID 63900825
1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103770129) is 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is O=C(NCC(O)C(F)F)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is TXTVSHJNDRVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c14-11(15)10(18)6-16-12(19)9-2-1-5-17(7-9)13(20)8-3-4-8/h8-11,18H,1-7H2,(H,16,19).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 290.31 g/mol, XLogP of 0.38, 5 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-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103770129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).