tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate

C26H32N4O4 — CID 178165252

IUPACtert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate
SMILESCC(Nc1cc(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C26H32N4O4/c1-17(19-10-9-18-7-5-6-8-20(18)15-19)27-22-16-23(31)30(24(32)28-22)21-11-13-29(14-12-21)25(33)34-26(2,3)4/h5-10,15-17,21,27H,11-14H2,1-4H3,(H,28,32)
InChIKeyPEEHVQUTWVHJKZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.43
Rot. Bonds4

About tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate (PubChem CID 178165252) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate
PubChem CID178165252
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nametert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate
SMILESCC(Nc1cc(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C26H32N4O4/c1-17(19-10-9-18-7-5-6-8-20(18)15-19)27-22-16-23(31)30(24(32)28-22)21-11-13-29(14-12-21)25(33)34-26(2,3)4/h5-10,15-17,21,27H,11-14H2,1-4H3,(H,28,32)
InChIKeyPEEHVQUTWVHJKZ-UHFFFAOYSA-N
XLogP4.43
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808
tert-butyl 4-(5-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 87278624
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
tert-butyl 4-[2-[methoxy(methyl)amino]-1-naphthalen-2-yl-2-oxoethyl]piperazine-1-carboxylate
CID 89098000
3-cyclobutyl-6-[[(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 151665969
6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 59846683
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 103781191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate (CID 178165252) is tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate is CC(Nc1cc(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate?
The InChIKey is PEEHVQUTWVHJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(19-10-9-18-7-5-6-8-20(18)15-19)27-22-16-23(31)30(24(32)28-22)21-11-13-29(14-12-21)25(33)34-26(2,3)4/h5-10,15-17,21,27H,11-14H2,1-4H3,(H,28,32).
What are the key properties of tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178165252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).