N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide

C19H28F2N2O — CID 119816121

IUPACN-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide
SMILESCCCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C19H28F2N2O/c1-3-5-18(16-8-7-15(20)11-17(16)21)23-19(24)10-13(2)14-6-4-9-22-12-14/h7-8,11,13-14,18,22H,3-6,9-10,12H2,1-2H3,(H,23,24)
InChIKeyNMVVOSIWDXDUCA-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide

N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide (PubChem CID 119816121) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide
PubChem CID119816121
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC NameN-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide
SMILESCCCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C19H28F2N2O/c1-3-5-18(16-8-7-15(20)11-17(16)21)23-19(24)10-13(2)14-6-4-9-22-12-14/h7-8,11,13-14,18,22H,3-6,9-10,12H2,1-2H3,(H,23,24)
InChIKeyNMVVOSIWDXDUCA-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
CID 119695812
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide (CID 119816121) is N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide is CCCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide?
The InChIKey is NMVVOSIWDXDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O/c1-3-5-18(16-8-7-15(20)11-17(16)21)23-19(24)10-13(2)14-6-4-9-22-12-14/h7-8,11,13-14,18,22H,3-6,9-10,12H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide?
N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide has a molecular weight of 338.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119816121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).