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

C18H32N2O3 — CID 83998544

IUPACmethyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
SMILESCCC(=O)N1CC(CC(=O)OC)CC(NCC2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-3-17(21)20-12-15(10-18(22)23-2)9-16(13-20)19-11-14-7-5-4-6-8-14/h14-16,19H,3-13H2,1-2H3
InChIKeyLLMNLJOBLADHEY-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.35
Rot. Bonds6

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

methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate (PubChem CID 83998544) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
PubChem CID83998544
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Namemethyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
SMILESCCC(=O)N1CC(CC(=O)OC)CC(NCC2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-3-17(21)20-12-15(10-18(22)23-2)9-16(13-20)19-11-14-7-5-4-6-8-14/h14-16,19H,3-13H2,1-2H3
InChIKeyLLMNLJOBLADHEY-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.35
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
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
CID 83998555
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate (CID 83998544) is methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate is CCC(=O)N1CC(CC(=O)OC)CC(NCC2CCCCC2)C1.
What is the InChIKey of methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate?
The InChIKey is LLMNLJOBLADHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-17(21)20-12-15(10-18(22)23-2)9-16(13-20)19-11-14-7-5-4-6-8-14/h14-16,19H,3-13H2,1-2H3.
What are the key properties of methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate?
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate has a molecular weight of 324.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate is sourced from PubChem (CID 83998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).