methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate

C17H32N2O2 — CID 83997020

IUPACmethyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
SMILESCCCCN1CC(CC(=O)OC)CC(NCC2CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-4-8-19-12-15(10-17(20)21-2)9-16(13-19)18-11-14-6-5-7-14/h14-16,18H,3-13H2,1-2H3
InChIKeyAGVKQSSFAYENDB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds8

About methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate

methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate (PubChem CID 83997020) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
PubChem CID83997020
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
SMILESCCCCN1CC(CC(=O)OC)CC(NCC2CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-4-8-19-12-15(10-17(20)21-2)9-16(13-19)18-11-14-6-5-7-14/h14-16,18H,3-13H2,1-2H3
InChIKeyAGVKQSSFAYENDB-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate (CID 83997020) is methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate is CCCCN1CC(CC(=O)OC)CC(NCC2CCC2)C1.
What is the InChIKey of methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate?
The InChIKey is AGVKQSSFAYENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-4-8-19-12-15(10-17(20)21-2)9-16(13-19)18-11-14-6-5-7-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate?
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate has a molecular weight of 296.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).