methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate

C16H32N2O2 — CID 83995572

IUPACmethyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
SMILESCCN1CC(CCC(=O)OC)CC(NCCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-18-11-14(6-7-16(19)20-4)10-15(12-18)17-9-8-13(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyNPSZGWKPNDJFBW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.29
Rot. Bonds8

About methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate

methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate (PubChem CID 83995572) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
PubChem CID83995572
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
SMILESCCN1CC(CCC(=O)OC)CC(NCCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-18-11-14(6-7-16(19)20-4)10-15(12-18)17-9-8-13(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyNPSZGWKPNDJFBW-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
methyl 3-[1-(cyanomethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]propanoate
CID 83993354

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate (CID 83995572) is methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate is CCN1CC(CCC(=O)OC)CC(NCCC(C)C)C1.
What is the InChIKey of methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate?
The InChIKey is NPSZGWKPNDJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-18-11-14(6-7-16(19)20-4)10-15(12-18)17-9-8-13(2)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate?
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate is sourced from PubChem (CID 83995572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).