3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

C19H32N4O2 — CID 138010718

IUPAC3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)NCC[C@H]2CCCO2)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)23-14-20-12-17(23)15-6-4-10-22(13-15)18(24)21-9-8-16-7-5-11-25-16/h12,14-16H,4-11,13H2,1-3H3,(H,21,24)/t15?,16-/m1/s1
InChIKeyBGDQODBYPDENRC-OEMAIJDKSA-N
MW348.49 g/mol
LogP3.10
Rot. Bonds4

About 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 138010718) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID138010718
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)NCC[C@H]2CCCO2)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)23-14-20-12-17(23)15-6-4-10-22(13-15)18(24)21-9-8-16-7-5-11-25-16/h12,14-16H,4-11,13H2,1-3H3,(H,21,24)/t15?,16-/m1/s1
InChIKeyBGDQODBYPDENRC-OEMAIJDKSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide
CID 146103693
1-[3-(3-tert-butylimidazol-4-yl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 154868444
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
CID 121495825
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
(2R)-2-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 95637959
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
ethyl 1-[N'-methyl-N-[2-(oxolan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994484

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (CID 138010718) is 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is CC(C)(C)n1cncc1C1CCCN(C(=O)NCC[C@H]2CCCO2)C1.
What is the InChIKey of 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is BGDQODBYPDENRC-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)23-14-20-12-17(23)15-6-4-10-22(13-15)18(24)21-9-8-16-7-5-11-25-16/h12,14-16H,4-11,13H2,1-3H3,(H,21,24)/t15?,16-/m1/s1.
What are the key properties of 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 138010718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).