butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate

C24H37N3O3 — CID 142998015

IUPACbutyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C24H37N3O3/c1-2-3-17-29-24(28)23-8-7-20(18-25-23)27-15-11-22(12-16-27)30-21-9-13-26(14-10-21)19-5-4-6-19/h7-8,18-19,21-22H,2-6,9-17H2,1H3
InChIKeyKFGHOUHXDOSPAK-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.04
Rot. Bonds8

About butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate

butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate (PubChem CID 142998015) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namebutyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
PubChem CID142998015
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Namebutyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C24H37N3O3/c1-2-3-17-29-24(28)23-8-7-20(18-25-23)27-15-11-22(12-16-27)30-21-9-13-26(14-10-21)19-5-4-6-19/h7-8,18-19,21-22H,2-6,9-17H2,1H3
InChIKeyKFGHOUHXDOSPAK-UHFFFAOYSA-N
XLogP4.04
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate (CID 142998015) is butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate is CCCCOC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is KFGHOUHXDOSPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-2-3-17-29-24(28)23-8-7-20(18-25-23)27-15-11-22(12-16-27)30-21-9-13-26(14-10-21)19-5-4-6-19/h7-8,18-19,21-22H,2-6,9-17H2,1H3.
What are the key properties of butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 415.58 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 142998015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).