tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate

C24H37N5O3 — CID 129416926

IUPACtert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)C1
InChIInChI=1S/C24H37N5O3/c1-24(2,3)32-23(31)29-12-6-7-17(15-29)22(30)27-18-10-13-28(14-11-18)21-19-8-4-5-9-20(19)25-16-26-21/h16-18H,4-15H2,1-3H3,(H,27,30)/t17-/m1/s1
InChIKeyIYKDHGLXUFNKAU-QGZVFWFLSA-N
MW443.59 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 129416926) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID129416926
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Nametert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)C1
InChIInChI=1S/C24H37N5O3/c1-24(2,3)32-23(31)29-12-6-7-17(15-29)22(30)27-18-10-13-28(14-11-18)21-19-8-4-5-9-20(19)25-16-26-21/h16-18H,4-15H2,1-3H3,(H,27,30)/t17-/m1/s1
InChIKeyIYKDHGLXUFNKAU-QGZVFWFLSA-N
XLogP3.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate (CID 129416926) is tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is IYKDHGLXUFNKAU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-24(2,3)32-23(31)29-12-6-7-17(15-29)22(30)27-18-10-13-28(14-11-18)21-19-8-4-5-9-20(19)25-16-26-21/h16-18H,4-15H2,1-3H3,(H,27,30)/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 443.59 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 129416926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).