methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate

C15H30N2O2 — CID 55145067

IUPACmethyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCCC1CCCCN1CCC(NC(C)C)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-13-8-6-7-10-17(13)11-9-14(15(18)19-4)16-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyGAXXMBSXCRUMOP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate

methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate (PubChem CID 55145067) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
PubChem CID55145067
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCCC1CCCCN1CCC(NC(C)C)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-13-8-6-7-10-17(13)11-9-14(15(18)19-4)16-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyGAXXMBSXCRUMOP-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propan-2-ylamino)butanoate
CID 65324968
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 2-bromo-3-(2-ethylpiperidin-1-yl)propanoate
CID 81100236
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
CID 114229188
2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 55147081
methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
CID 63055230
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate (CID 55145067) is methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate is CCC1CCCCN1CCC(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The InChIKey is GAXXMBSXCRUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13-8-6-7-10-17(13)11-9-14(15(18)19-4)16-12(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 55145067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).