4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

C10H17F3N2O — CID 63226854

IUPAC4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O/c1-9(2-5-14-6-3-9)8(16)15-7-4-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyUSUMYDZSVBNEDF-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds3

About 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 63226854) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID63226854
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O/c1-9(2-5-14-6-3-9)8(16)15-7-4-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyUSUMYDZSVBNEDF-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
N-butylpiperidine-4-carboxamide hydrochloride
CID 50988217
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
2-Methyl-2,8-diazaspiro[4.5]decan-1-one
CID 327024
N-ethylpiperidine-4-carboxamide
CID 13593161
N-propylpiperidine-4-carboxamide hydrochloride
CID 50988220
N,1-diisobutyl-4-piperidinecarboxamide oxalate
CID 883892
N-butylpiperidine-4-carboxamide
CID 16228130
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 63226854) is 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is CC1(C(=O)NCCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is USUMYDZSVBNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2-5-14-6-3-9)8(16)15-7-4-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 63226854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).