3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide

C12H21F3N2O — CID 79720843

IUPAC3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCNCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-7-17(11(18)8-12(13,14)15)9-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3
InChIKeyYZTIJXORPUDUCW-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds5

About 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide

3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide (PubChem CID 79720843) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide
PubChem CID79720843
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCNCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-7-17(11(18)8-12(13,14)15)9-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3
InChIKeyYZTIJXORPUDUCW-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
CID 12687022
N-(piperidin-4-ylmethyl)acetamide
CID 4341747
N-(2-(4-Piperidinyl)ethyl)acetamide
CID 4712038
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
N-((1-isopropylpiperidin-4-yl)methyl)isobutyramide
CID 16895472
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
1-[4-(2-Aminoethyl)piperidin-1-yl]ethan-1-one
CID 19697699

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide (CID 79720843) is 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide is CCCN(CC1CCNCC1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The InChIKey is YZTIJXORPUDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-7-17(11(18)8-12(13,14)15)9-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(piperidin-4-ylmethyl)-N-propylpropanamide is sourced from PubChem (CID 79720843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).