N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide

C12H22F2N2O — CID 115738604

IUPACN-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)CC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O/c1-9(10-4-3-5-15-7-10)6-12(17)16(2)8-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyBKZJLCHXRWHSRR-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.74
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide

N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide (PubChem CID 115738604) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
PubChem CID115738604
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)CC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O/c1-9(10-4-3-5-15-7-10)6-12(17)16(2)8-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyBKZJLCHXRWHSRR-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119818677
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81043953
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide (CID 115738604) is N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)CC(F)F)C1CCCNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide?
The InChIKey is BKZJLCHXRWHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-9(10-4-3-5-15-7-10)6-12(17)16(2)8-11(13)14/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide?
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide has a molecular weight of 248.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 115738604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).