tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone

C15H23N3O3 — CID 175327380

IUPACtert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C10H13N3O.C5H10O2/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13;1-5(2,3)7-4-6/h1-3,8,11H,4-7H2;4H,1-3H3
InChIKeyYLWRVMMPHOPBDD-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone

tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone (PubChem CID 175327380) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Nametert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
PubChem CID175327380
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C10H13N3O.C5H10O2/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13;1-5(2,3)7-4-6/h1-3,8,11H,4-7H2;4H,1-3H3
InChIKeyYLWRVMMPHOPBDD-UHFFFAOYSA-N
XLogP1.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
CID 175290521
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
(4-amino-3-fluorophenyl)-piperazin-1-ylmethanone;tert-butyl formate
CID 158797916
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one
CID 82510529
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
tert-butyl formate;4-piperazin-1-ylpyridin-3-amine
CID 174601786
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone?
The IUPAC name of tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone (CID 175327380) is tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone.
What is the SMILES notation for tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone?
The canonical SMILES for tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone is CC(C)(C)OC=O.O=C(c1cccnc1)N1CCNCC1.
What is the InChIKey of tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone?
The InChIKey is YLWRVMMPHOPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.C5H10O2/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13;1-5(2,3)7-4-6/h1-3,8,11H,4-7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone?
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 175327380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).