N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide

C18H26F2N2O — CID 119767607

IUPACN-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H26F2N2O/c1-3-22(12-15-16(19)7-4-8-17(15)20)18(23)10-13(2)14-6-5-9-21-11-14/h4,7-8,13-14,21H,3,5-6,9-12H2,1-2H3
InChIKeyRWQUFNRVRGKHGN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.34
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide

N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide (PubChem CID 119767607) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
PubChem CID119767607
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H26F2N2O/c1-3-22(12-15-16(19)7-4-8-17(15)20)18(23)10-13(2)14-6-5-9-21-11-14/h4,7-8,13-14,21H,3,5-6,9-12H2,1-2H3
InChIKeyRWQUFNRVRGKHGN-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 119767629
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide (CID 119767607) is N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide is CCN(Cc1c(F)cccc1F)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide?
The InChIKey is RWQUFNRVRGKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-3-22(12-15-16(19)7-4-8-17(15)20)18(23)10-13(2)14-6-5-9-21-11-14/h4,7-8,13-14,21H,3,5-6,9-12H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide?
N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide has a molecular weight of 324.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119767607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).