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

C17H25N5O3 — CID 86730056

IUPAC[1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CN(c3ccc(C(N)=O)cn3)C2)CC1
InChIInChI=1S/C17H25N5O3/c1-12(2)20-5-7-21(8-6-20)17(24)25-14-10-22(11-14)15-4-3-13(9-19-15)16(18)23/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,18,23)
InChIKeyIWOGTZUVQAHPST-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.53
Rot. Bonds4

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

[1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 86730056) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID86730056
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CN(c3ccc(C(N)=O)cn3)C2)CC1
InChIInChI=1S/C17H25N5O3/c1-12(2)20-5-7-21(8-6-20)17(24)25-14-10-22(11-14)15-4-3-13(9-19-15)16(18)23/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,18,23)
InChIKeyIWOGTZUVQAHPST-UHFFFAOYSA-N
XLogP0.53
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 86730056) is [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CN(c3ccc(C(N)=O)cn3)C2)CC1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is IWOGTZUVQAHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(2)20-5-7-21(8-6-20)17(24)25-14-10-22(11-14)15-4-3-13(9-19-15)16(18)23/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,18,23).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 86730056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).