4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile

C19H21FN4O2 — CID 125160808

IUPAC4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)CCOCC1
InChIInChI=1S/C19H21FN4O2/c20-13-4-5-14-15(11-13)23-17(22-14)16-3-1-2-8-24(16)18(25)19(12-21)6-9-26-10-7-19/h4-5,11,16H,1-3,6-10H2,(H,22,23)/t16-/m0/s1
InChIKeyHEIVXTHAXXARDZ-INIZCTEOSA-N
MW356.40 g/mol
LogP3.08
Rot. Bonds2

About 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile

4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile (PubChem CID 125160808) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile
PubChem CID125160808
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)CCOCC1
InChIInChI=1S/C19H21FN4O2/c20-13-4-5-14-15(11-13)23-17(22-14)16-3-1-2-8-24(16)18(25)19(12-21)6-9-26-10-7-19/h4-5,11,16H,1-3,6-10H2,(H,22,23)/t16-/m0/s1
InChIKeyHEIVXTHAXXARDZ-INIZCTEOSA-N
XLogP3.08
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 95807889
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 99931811
3-[2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95872803
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 99945467
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
5-[2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95861367
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95872711

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile?
The IUPAC name of 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile (CID 125160808) is 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile is N#CC1(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)CCOCC1.
What is the InChIKey of 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile?
The InChIKey is HEIVXTHAXXARDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-13-4-5-14-15(11-13)23-17(22-14)16-3-1-2-8-24(16)18(25)19(12-21)6-9-26-10-7-19/h4-5,11,16H,1-3,6-10H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile?
4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile has a molecular weight of 356.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]oxane-4-carbonitrile is sourced from PubChem (CID 125160808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).