N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H21F3N2O2 — CID 136582837

IUPACN-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1(O)CC(NC(=O)C2CCCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O2/c1-12(20)5-10(6-12)17-11(19)9-3-2-4-18(7-9)8-13(14,15)16/h9-10,20H,2-8H2,1H3,(H,17,19)
InChIKeyIHVAVFULQMGELT-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds3

About N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 136582837) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID136582837
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1(O)CC(NC(=O)C2CCCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O2/c1-12(20)5-10(6-12)17-11(19)9-3-2-4-18(7-9)8-13(14,15)16/h9-10,20H,2-8H2,1H3,(H,17,19)
InChIKeyIHVAVFULQMGELT-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124730505
(3R)-N-[(2R)-2-[(S)-methylsulfinyl]propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241698
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956
(3S)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97146313
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 127722832
(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97146312

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 136582837) is N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC1(O)CC(NC(=O)C2CCCN(CC(F)(F)F)C2)C1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is IHVAVFULQMGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(20)5-10(6-12)17-11(19)9-3-2-4-18(7-9)8-13(14,15)16/h9-10,20H,2-8H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 136582837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).