ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

C18H26N4O4 — CID 109206953

IUPACethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(NCC3CCCO3)ccn2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)17(23)16-12-14(5-6-19-16)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,20)
InChIKeyRXYIRUNJVYGCMO-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.59
Rot. Bonds5

About ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109206953) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109206953
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(NCC3CCCO3)ccn2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)17(23)16-12-14(5-6-19-16)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,20)
InChIKeyRXYIRUNJVYGCMO-UHFFFAOYSA-N
XLogP1.59
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215872
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109081800
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109184969
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207018

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate (CID 109206953) is ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(NCC3CCCO3)ccn2)CC1.
What is the InChIKey of ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is RXYIRUNJVYGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)17(23)16-12-14(5-6-19-16)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,20).
What are the key properties of ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).