tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate

C25H30N4O2 — CID 122495391

IUPACtert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccc3cncc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)28-20-11-13-29(14-12-20)17-21-10-9-19-15-26-16-22(23(19)27-21)18-7-5-4-6-8-18/h4-10,15-16,20H,11-14,17H2,1-3H3,(H,28,30)
InChIKeyPPVUPJKLVBJZMU-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 122495391) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate
PubChem CID122495391
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Nametert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccc3cncc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)28-20-11-13-29(14-12-20)17-21-10-9-19-15-26-16-22(23(19)27-21)18-7-5-4-6-8-18/h4-10,15-16,20H,11-14,17H2,1-3H3,(H,28,30)
InChIKeyPPVUPJKLVBJZMU-UHFFFAOYSA-N
XLogP4.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
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tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]carbamate;bis(4-methylbenzenesulfonic acid)
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tert-butyl N-[1-[[4-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]phenyl]isoquinolin-6-yl]methyl]piperidin-4-yl]carbamate
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tert-butyl N-[(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate;4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride
CID 158273778
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate (CID 122495391) is tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2ccc3cncc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is PPVUPJKLVBJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)28-20-11-13-29(14-12-20)17-21-10-9-19-15-26-16-22(23(19)27-21)18-7-5-4-6-8-18/h4-10,15-16,20H,11-14,17H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 418.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 122495391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).