tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate

C19H32N4O2 — CID 75517965

IUPACtert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCCc2cn3c(n2)CCCC3)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-12-6-7-15(13-23)20-10-9-16-14-22-11-5-4-8-17(22)21-16/h14-15,20H,4-13H2,1-3H3
InChIKeyBHGBICDPQCBHBG-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 75517965) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate
PubChem CID75517965
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCCc2cn3c(n2)CCCC3)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-12-6-7-15(13-23)20-10-9-16-14-22-11-5-4-8-17(22)21-16/h14-15,20H,4-13H2,1-3H3
InChIKeyBHGBICDPQCBHBG-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 3-[2-(4-fluoro-2-methylphenyl)ethylamino]piperidine-1-carboxylate
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tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
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tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
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CID 106840867
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate (CID 75517965) is tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NCCc2cn3c(n2)CCCC3)C1.
What is the InChIKey of tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is BHGBICDPQCBHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-12-6-7-15(13-23)20-10-9-16-14-22-11-5-4-8-17(22)21-16/h14-15,20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 75517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).