ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

C18H26N4O4 — CID 109184969

IUPACethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)nc2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)14-5-6-16(19-12-14)17(23)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyRYPZTPIXNHVSIM-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.27
Rot. Bonds5

About ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109184969) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109184969
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)nc2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)14-5-6-16(19-12-14)17(23)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyRYPZTPIXNHVSIM-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109206953
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 18362852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109184969) is ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is RYPZTPIXNHVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)14-5-6-16(19-12-14)17(23)20-13-15-4-3-11-26-15/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109184969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).