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

C18H26N4O4 — CID 109079428

IUPACethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCCNC(=O)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H26N4O4/c1-3-5-7-20-16(23)15-13-14(6-8-19-15)17(24)21-9-11-22(12-10-21)18(25)26-4-2/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,20,23)
InChIKeyBLPOZRFQKMUBCD-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.53
Rot. Bonds6

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

ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 109079428) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
PubChem CID109079428
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCCNC(=O)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1
InChIInChI=1S/C18H26N4O4/c1-3-5-7-20-16(23)15-13-14(6-8-19-15)17(24)21-9-11-22(12-10-21)18(25)26-4-2/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,20,23)
InChIKeyBLPOZRFQKMUBCD-UHFFFAOYSA-N
XLogP1.53
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
ethyl 4-[6-(pentylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352795
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate (CID 109079428) is ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate is CCCCNC(=O)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccn1.
What is the InChIKey of ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is BLPOZRFQKMUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-5-7-20-16(23)15-13-14(6-8-19-15)17(24)21-9-11-22(12-10-21)18(25)26-4-2/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,20,23).
What are the key properties of ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109079428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).