N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide

C18H22F2N4O — CID 56787135

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCN(Cc2c(F)cccc2F)C1)n1ccnc1
InChIInChI=1S/C18H22F2N4O/c1-13(24-9-7-21-12-24)18(25)22-14-4-3-8-23(10-14)11-15-16(19)5-2-6-17(15)20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,22,25)
InChIKeyGLXLLVHGLPJVOP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide

N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide (PubChem CID 56787135) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
PubChem CID56787135
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCN(Cc2c(F)cccc2F)C1)n1ccnc1
InChIInChI=1S/C18H22F2N4O/c1-13(24-9-7-21-12-24)18(25)22-14-4-3-8-23(10-14)11-15-16(19)5-2-6-17(15)20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,22,25)
InChIKeyGLXLLVHGLPJVOP-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884021
(3R)-3-[[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]amino]-N,N-dimethylbutanamide
CID 97231897
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883983
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide (CID 56787135) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide is CC(C(=O)NC1CCCN(Cc2c(F)cccc2F)C1)n1ccnc1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is GLXLLVHGLPJVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-13(24-9-7-21-12-24)18(25)22-14-4-3-8-23(10-14)11-15-16(19)5-2-6-17(15)20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,22,25).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 348.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 56787135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).