tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate

C17H22ClN5O2 — CID 131746892

IUPACtert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc(Cl)nc3cccnc23)C1
InChIInChI=1S/C17H22ClN5O2/c1-17(2,3)25-16(24)20-11-6-5-9-23(10-11)14-13-12(7-4-8-19-13)21-15(18)22-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,20,24)/t11-/m1/s1
InChIKeyZQWGBIYLDDQZFL-LLVKDONJSA-N
MW363.85 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate (PubChem CID 131746892) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
PubChem CID131746892
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Nametert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc(Cl)nc3cccnc23)C1
InChIInChI=1S/C17H22ClN5O2/c1-17(2,3)25-16(24)20-11-6-5-9-23(10-11)14-13-12(7-4-8-19-13)21-15(18)22-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,20,24)/t11-/m1/s1
InChIKeyZQWGBIYLDDQZFL-LLVKDONJSA-N
XLogP3.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate (CID 131746892) is tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc(Cl)nc3cccnc23)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is ZQWGBIYLDDQZFL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-17(2,3)25-16(24)20-11-6-5-9-23(10-11)14-13-12(7-4-8-19-13)21-15(18)22-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,20,24)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 363.85 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 131746892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).