ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

C16H22N4O3 — CID 109202328

IUPACethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESC=CCNc1ccnc(C(=O)N2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C16H22N4O3/c1-3-6-17-13-5-7-18-14(12-13)15(21)19-8-10-20(11-9-19)16(22)23-4-2/h3,5,7,12H,1,4,6,8-11H2,2H3,(H,17,18)
InChIKeyZKWLDNXYVAXRAD-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.59
Rot. Bonds5

About ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109202328) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109202328
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESC=CCNc1ccnc(C(=O)N2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C16H22N4O3/c1-3-6-17-13-5-7-18-14(12-13)15(21)19-8-10-20(11-9-19)16(22)23-4-2/h3,5,7,12H,1,4,6,8-11H2,2H3,(H,17,18)
InChIKeyZKWLDNXYVAXRAD-UHFFFAOYSA-N
XLogP1.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109206953
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202334
(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202348
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215872

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (CID 109202328) is ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is C=CCNc1ccnc(C(=O)N2CCN(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is ZKWLDNXYVAXRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-6-17-13-5-7-18-14(12-13)15(21)19-8-10-20(11-9-19)16(22)23-4-2/h3,5,7,12H,1,4,6,8-11H2,2H3,(H,17,18).
What are the key properties of ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).