[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate

C17H26N4O2 — CID 90351301

IUPAC[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1ccc(N2CC(OC(=O)N3CCN(C(C)C)CC3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-6-8-20(9-7-19)17(22)23-15-11-21(12-15)16-5-4-14(3)10-18-16/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyBLWCRJCZJYYRAV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds3

About [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 90351301) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID90351301
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1ccc(N2CC(OC(=O)N3CCN(C(C)C)CC3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-6-8-20(9-7-19)17(22)23-15-11-21(12-15)16-5-4-14(3)10-18-16/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyBLWCRJCZJYYRAV-UHFFFAOYSA-N
XLogP1.74
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 90351301) is [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1ccc(N2CC(OC(=O)N3CCN(C(C)C)CC3)C2)nc1.
What is the InChIKey of [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is BLWCRJCZJYYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)19-6-8-20(9-7-19)17(22)23-15-11-21(12-15)16-5-4-14(3)10-18-16/h4-5,10,13,15H,6-9,11-12H2,1-3H3.
What are the key properties of [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 90351301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).