methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate

C13H24N2O3 — CID 83990367

IUPACmethyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
SMILESCCNC1CC(CCC(=O)OC)CN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-4-14-12-7-11(5-6-13(17)18-3)8-15(9-12)10(2)16/h11-12,14H,4-9H2,1-3H3
InChIKeyMNFXRFGSXOGDNQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds5

About methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate

methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate (PubChem CID 83990367) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
PubChem CID83990367
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
SMILESCCNC1CC(CCC(=O)OC)CN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-4-14-12-7-11(5-6-13(17)18-3)8-15(9-12)10(2)16/h11-12,14H,4-9H2,1-3H3
InChIKeyMNFXRFGSXOGDNQ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
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
methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
CID 83989738
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate (CID 83990367) is methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate is CCNC1CC(CCC(=O)OC)CN(C(C)=O)C1.
What is the InChIKey of methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate?
The InChIKey is MNFXRFGSXOGDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14-12-7-11(5-6-13(17)18-3)8-15(9-12)10(2)16/h11-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate?
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate is sourced from PubChem (CID 83990367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).