tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate

C24H30N4O3 — CID 155667424

IUPACtert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3ncccc3N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)31-23(30)26-14-11-19(12-15-26)27-17-20-21(10-7-13-25-20)28(22(27)29)16-18-8-5-4-6-9-18/h4-10,13,19H,11-12,14-17H2,1-3H3
InChIKeyZTYQHASYJBDRRR-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate (PubChem CID 155667424) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
PubChem CID155667424
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nametert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3ncccc3N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)31-23(30)26-14-11-19(12-15-26)27-17-20-21(10-7-13-25-20)28(22(27)29)16-18-8-5-4-6-9-18/h4-10,13,19H,11-12,14-17H2,1-3H3
InChIKeyZTYQHASYJBDRRR-UHFFFAOYSA-N
XLogP4.42
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
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tert-butyl 4-[(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
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tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate (CID 155667424) is tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2Cc3ncccc3N(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate?
The InChIKey is ZTYQHASYJBDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,3)31-23(30)26-14-11-19(12-15-26)27-17-20-21(10-7-13-25-20)28(22(27)29)16-18-8-5-4-6-9-18/h4-10,13,19H,11-12,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155667424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).