[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

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

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Related Compounds

[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71523242
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 90351266
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
ethane;methyl (2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 144929756
[1-(3-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
[1-(6-isocyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198059
[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 69364575
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299

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).