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

C9H15F3N2O — CID 63227194

IUPACN-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-8(15)7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyVKJFZMHHPWEJSU-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 63227194) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID63227194
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-8(15)7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyVKJFZMHHPWEJSU-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinecarboxamide
CID 3772
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
N-methylpiperidine-4-carboxamide
CID 2760460
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
5-(Trifluoromethyl)piperidin-2-one
CID 16228088
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
3-(Trifluoromethyl)piperidin-2-one
CID 42944935
N-butylpiperidine-4-carboxamide hydrochloride
CID 50988217
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524
4-(Aminomethyl)-2-piperidinone
CID 60150293

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 63227194) is N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is O=C(NCCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is VKJFZMHHPWEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-8(15)7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 63227194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).