tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate

C19H29N3O2 — CID 12017167

IUPACtert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-11-5-6-14(13-22)12-16-9-8-15-7-4-10-20-17(15)21-16/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,21)
InChIKeyNEQOGSXKMFRJBK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate

tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 12017167) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate
PubChem CID12017167
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-11-5-6-14(13-22)12-16-9-8-15-7-4-10-20-17(15)21-16/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,21)
InChIKeyNEQOGSXKMFRJBK-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-1-yl]ethenyl]azetidine-1-carboxylate
CID 147972017
tert-butyl 4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]piperidine-1-carboxylate
CID 135312286
2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-1-yl]propanedial
CID 173252783
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
(2S)-2-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxycarbonylamino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 153475002
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
tert-butyl 3-[[2-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 46941875
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 124947383
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidin-1-yl]butanoic acid
CID 134500433
tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
CID 124942430
tert-butyl (3R)-3-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 95732016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate (CID 12017167) is tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Cc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is NEQOGSXKMFRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-11-5-6-14(13-22)12-16-9-8-15-7-4-10-20-17(15)21-16/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate?
tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 12017167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).