anilino piperazine-1-carboxylate

C11H15N3O2 — CID 87684063

IUPACanilino piperazine-1-carboxylate
SMILESO=C(ONc1ccccc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(14-8-6-12-7-9-14)16-13-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyIJKSMFLESHUFJQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.06
Rot. Bonds2

About anilino piperazine-1-carboxylate

anilino piperazine-1-carboxylate (PubChem CID 87684063) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is anilino piperazine-1-carboxylate.

Molecular Properties

Compound Nameanilino piperazine-1-carboxylate
PubChem CID87684063
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameanilino piperazine-1-carboxylate
SMILESO=C(ONc1ccccc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(14-8-6-12-7-9-14)16-13-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyIJKSMFLESHUFJQ-UHFFFAOYSA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzhydryl piperazine-1-carboxylate
CID 69141758
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780
1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
CID 119401684
(2-aminobenzoyl) piperazine-1-carboxylate
CID 174897357
5-phenylpentyl 1,4-diazepane-1-carboxylate
CID 91803261
2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551

Frequently Asked Questions

What is the IUPAC name of anilino piperazine-1-carboxylate?
The IUPAC name of anilino piperazine-1-carboxylate (CID 87684063) is anilino piperazine-1-carboxylate.
What is the SMILES notation for anilino piperazine-1-carboxylate?
The canonical SMILES for anilino piperazine-1-carboxylate is O=C(ONc1ccccc1)N1CCNCC1.
What is the InChIKey of anilino piperazine-1-carboxylate?
The InChIKey is IJKSMFLESHUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(14-8-6-12-7-9-14)16-13-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2.
What are the key properties of anilino piperazine-1-carboxylate?
anilino piperazine-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilino piperazine-1-carboxylate is sourced from PubChem (CID 87684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).