methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate

C19H34N2O2 — CID 83998723

IUPACmethyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC2CCCCC2)CN(C2CCC2)C1
InChIInChI=1S/C19H34N2O2/c1-23-19(22)11-16-10-17(14-21(13-16)18-8-5-9-18)20-12-15-6-3-2-4-7-15/h15-18,20H,2-14H2,1H3
InChIKeyHDIXSBVRJTVRDC-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.96
Rot. Bonds6

About methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate

methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate (PubChem CID 83998723) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
PubChem CID83998723
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Namemethyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC2CCCCC2)CN(C2CCC2)C1
InChIInChI=1S/C19H34N2O2/c1-23-19(22)11-16-10-17(14-21(13-16)18-8-5-9-18)20-12-15-6-3-2-4-7-15/h15-18,20H,2-14H2,1H3
InChIKeyHDIXSBVRJTVRDC-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
1-cyclobutyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997328

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate (CID 83998723) is methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NCC2CCCCC2)CN(C2CCC2)C1.
What is the InChIKey of methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate?
The InChIKey is HDIXSBVRJTVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-23-19(22)11-16-10-17(14-21(13-16)18-8-5-9-18)20-12-15-6-3-2-4-7-15/h15-18,20H,2-14H2,1H3.
What are the key properties of methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate?
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate has a molecular weight of 322.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83998723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).