tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate

C19H30N4O3 — CID 60518283

IUPACtert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
SMILESCc1cccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H30N4O3/c1-15-7-5-8-16(21-15)17(24)20-9-6-10-22-11-13-23(14-12-22)18(25)26-19(2,3)4/h5,7-8H,6,9-14H2,1-4H3,(H,20,24)
InChIKeyATZQYMWIEKVNQG-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate

tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate (PubChem CID 60518283) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
PubChem CID60518283
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
SMILESCc1cccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H30N4O3/c1-15-7-5-8-16(21-15)17(24)20-9-6-10-22-11-13-23(14-12-22)18(25)26-19(2,3)4/h5,7-8H,6,9-14H2,1-4H3,(H,20,24)
InChIKeyATZQYMWIEKVNQG-UHFFFAOYSA-N
XLogP2.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate (CID 60518283) is tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate is Cc1cccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
The InChIKey is ATZQYMWIEKVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15-7-5-8-16(21-15)17(24)20-9-6-10-22-11-13-23(14-12-22)18(25)26-19(2,3)4/h5,7-8H,6,9-14H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate is sourced from PubChem (CID 60518283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).