ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

C17H26N4O3 — CID 109203480

IUPACethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(NC(C)CC)ccn2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(3)19-14-6-7-18-15(12-14)16(22)20-8-10-21(11-9-20)17(23)24-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyAZJPYFREIIAENI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.21
Rot. Bonds5

About ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109203480) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109203480
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(NC(C)CC)ccn2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(3)19-14-6-7-18-15(12-14)16(22)20-8-10-21(11-9-20)17(23)24-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyAZJPYFREIIAENI-UHFFFAOYSA-N
XLogP2.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
ethyl 4-[2-(butan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109297137
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
ethyl 4-[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109321235
ethyl 4-[2-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109295181
ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109206953
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215872
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
ethyl 4-[2-(3-methylbutylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310281

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (CID 109203480) is ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(NC(C)CC)ccn2)CC1.
What is the InChIKey of ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is AZJPYFREIIAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-13(3)19-14-6-7-18-15(12-14)16(22)20-8-10-21(11-9-20)17(23)24-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,19).
What are the key properties of ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).