2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide

C19H25FN4O2 — CID 155622329

IUPAC2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
SMILESC[C@@H](c1nc2c(F)cccc2[nH]1)C(CC(=O)N1CCCC[C@@H]1C)C(N)=O
InChIInChI=1S/C19H25FN4O2/c1-11-6-3-4-9-24(11)16(25)10-13(18(21)26)12(2)19-22-15-8-5-7-14(20)17(15)23-19/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H2,21,26)(H,22,23)/t11-,12+,13?/m0/s1
InChIKeyLHJQFMUKKDJPAZ-LAGVYOHYSA-N
MW360.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide

2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide (PubChem CID 155622329) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
PubChem CID155622329
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
SMILESC[C@@H](c1nc2c(F)cccc2[nH]1)C(CC(=O)N1CCCC[C@@H]1C)C(N)=O
InChIInChI=1S/C19H25FN4O2/c1-11-6-3-4-9-24(11)16(25)10-13(18(21)26)12(2)19-22-15-8-5-7-14(20)17(15)23-19/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H2,21,26)(H,22,23)/t11-,12+,13?/m0/s1
InChIKeyLHJQFMUKKDJPAZ-LAGVYOHYSA-N
XLogP2.70
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]carbamic acid
CID 138545347
N-[1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-4-(2-methylpiperidin-1-yl)-1,4-dioxobutan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138545177
2-amino-4-(2-ethylpiperidin-1-yl)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide
CID 138545025
3-[(2S)-1-[[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-2-carboxamide
CID 155622374
benzyl N-[(2S)-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]carbamate;ethane;molecular hydrogen
CID 142558278
[4-[(2S)-2-ethylpiperidin-1-yl]-1-[1-(4-fluoro-1H-benzimidazol-2-yl)ethylamino]-1,4-dioxobutan-2-yl]carbamic acid
CID 138545215
2-cyclopropyl-N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]acetamide
CID 158215330
1-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-3,3-dimethylcyclobutane-1-carboxamide
CID 155622253
N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]piperidine-1-carboxamide
CID 138545307
methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate
CID 115926134
N-[4-(2-ethylpiperidin-1-yl)-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]morpholine-4-carboxamide
CID 138545254
N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]morpholine-4-carboxamide
CID 138545247

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The IUPAC name of 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide (CID 155622329) is 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide is C[C@@H](c1nc2c(F)cccc2[nH]1)C(CC(=O)N1CCCC[C@@H]1C)C(N)=O.
What is the InChIKey of 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
The InChIKey is LHJQFMUKKDJPAZ-LAGVYOHYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-11-6-3-4-9-24(11)16(25)10-13(18(21)26)12(2)19-22-15-8-5-7-14(20)17(15)23-19/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H2,21,26)(H,22,23)/t11-,12+,13?/m0/s1.
What are the key properties of 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide?
2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide has a molecular weight of 360.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 155622329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).