4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile

C17H20N4O2 — CID 125140588

IUPAC4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
SMILESCCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(C#N)oc1C
InChIInChI=1S/C17H20N4O2/c1-3-20-9-7-19-16(20)15-6-4-5-8-21(15)17(22)14-10-13(11-18)23-12(14)2/h7,9-10,15H,3-6,8H2,1-2H3/t15-/m0/s1
InChIKeyBBDGGEDHOSSLBQ-HNNXBMFYSA-N
MW312.37 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile

4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile (PubChem CID 125140588) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
PubChem CID125140588
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
SMILESCCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(C#N)oc1C
InChIInChI=1S/C17H20N4O2/c1-3-20-9-7-19-16(20)15-6-4-5-8-21(15)17(22)14-10-13(11-18)23-12(14)2/h7,9-10,15H,3-6,8H2,1-2H3/t15-/m0/s1
InChIKeyBBDGGEDHOSSLBQ-HNNXBMFYSA-N
XLogP3.04
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 139010291
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 124890510
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124742119
2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
CID 154795501
2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
CID 166184255
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 154795378
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
CID 124888754
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The IUPAC name of 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile (CID 125140588) is 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The canonical SMILES for 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile is CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(C#N)oc1C.
What is the InChIKey of 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The InChIKey is BBDGGEDHOSSLBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-20-9-7-19-16(20)15-6-4-5-8-21(15)17(22)14-10-13(11-18)23-12(14)2/h7,9-10,15H,3-6,8H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile is sourced from PubChem (CID 125140588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).