ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate

C18H28N4O3 — CID 109174252

IUPACethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-4-6-9-20(3)16-14-15(7-8-19-16)17(23)21-10-12-22(13-11-21)18(24)25-5-2/h7-8,14H,4-6,9-13H2,1-3H3
InChIKeyXVZQBFHMKRDCLI-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.23
Rot. Bonds6

About ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 109174252) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
PubChem CID109174252
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-4-6-9-20(3)16-14-15(7-8-19-16)17(23)21-10-12-22(13-11-21)18(24)25-5-2/h7-8,14H,4-6,9-13H2,1-3H3
InChIKeyXVZQBFHMKRDCLI-UHFFFAOYSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109174503
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106675
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
N-methyl-2-[methyl-[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]acetamide
CID 135101508
N-(4-acetamidophenyl)-2-[butyl(methyl)amino]pyridine-4-carboxamide
CID 109175595
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate (CID 109174252) is ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate is CCCCN(C)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1.
What is the InChIKey of ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is XVZQBFHMKRDCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-6-9-20(3)16-14-15(7-8-19-16)17(23)21-10-12-22(13-11-21)18(24)25-5-2/h7-8,14H,4-6,9-13H2,1-3H3.
What are the key properties of ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109174252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).