(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

C19H28N4O2 — CID 89487613

IUPAC(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccccn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H28N4O2/c24-19(23-14-12-21(13-15-23)16-4-3-5-16)25-17-7-10-22(11-8-17)18-6-1-2-9-20-18/h1-2,6,9,16-17H,3-5,7-8,10-15H2
InChIKeyFYJKKJWYKUDGEG-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.36
Rot. Bonds3

About (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487613) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487613
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccccn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H28N4O2/c24-19(23-14-12-21(13-15-23)16-4-3-5-16)25-17-7-10-22(11-8-17)18-6-1-2-9-20-18/h1-2,6,9,16-17H,3-5,7-8,10-15H2
InChIKeyFYJKKJWYKUDGEG-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propiram
CID 26216
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
(1-Imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487702
[1-[5-(2-Oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487796
(1-Pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487896
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
N-methyl-N-phenyl-4-(2-pyridinyl)-1-piperazinecarboxamide
CID 969696
Methyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234757
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 122198058
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198059

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (CID 89487613) is (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is O=C(OC1CCN(c2ccccn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is FYJKKJWYKUDGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19(23-14-12-21(13-15-23)16-4-3-5-16)25-17-7-10-22(11-8-17)18-6-1-2-9-20-18/h1-2,6,9,16-17H,3-5,7-8,10-15H2.
What are the key properties of (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
(1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).