ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate

C19H28N4O4 — CID 109106675

IUPACethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)C(=O)c1cncc(C(=O)N2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C19H28N4O4/c1-4-6-7-21(3)17(24)15-12-16(14-20-13-15)18(25)22-8-10-23(11-9-22)19(26)27-5-2/h12-14H,4-11H2,1-3H3
InChIKeyXRUSHCLGMSKCBE-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.87
Rot. Bonds6

About ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109106675) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109106675
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nameethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)C(=O)c1cncc(C(=O)N2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C19H28N4O4/c1-4-6-7-21(3)17(24)15-12-16(14-20-13-15)18(25)22-8-10-23(11-9-22)19(26)27-5-2/h12-14H,4-11H2,1-3H3
InChIKeyXRUSHCLGMSKCBE-UHFFFAOYSA-N
XLogP1.87
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174252
[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230121
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
CID 109055636
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739
ethyl 4-[5-(2-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238304

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate (CID 109106675) is ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate is CCCCN(C)C(=O)c1cncc(C(=O)N2CCN(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is XRUSHCLGMSKCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-4-6-7-21(3)17(24)15-12-16(14-20-13-15)18(25)22-8-10-23(11-9-22)19(26)27-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109106675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).