tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C23H34N4O3 — CID 55825869

IUPACtert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N4O3/c1-17(2)27(22(29)30-23(3,4)5)15-18-9-8-11-25(14-18)16-19-13-21(28)26-12-7-6-10-20(26)24-19/h6-7,10,12-13,17-18H,8-9,11,14-16H2,1-5H3
InChIKeyBOWZHIIPJHLSLF-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.55
Rot. Bonds5

About tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55825869) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55825869
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nametert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N4O3/c1-17(2)27(22(29)30-23(3,4)5)15-18-9-8-11-25(14-18)16-19-13-21(28)26-12-7-6-10-20(26)24-19/h6-7,10,12-13,17-18H,8-9,11,14-16H2,1-5H3
InChIKeyBOWZHIIPJHLSLF-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55825869) is tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is BOWZHIIPJHLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17(2)27(22(29)30-23(3,4)5)15-18-9-8-11-25(14-18)16-19-13-21(28)26-12-7-6-10-20(26)24-19/h6-7,10,12-13,17-18H,8-9,11,14-16H2,1-5H3.
What are the key properties of tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 414.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55825869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).