ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate

C18H33N3O3 — CID 110838688

IUPACethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-24-18(23)15-5-13-21(14-6-15)17(22)9-12-20(3)16-7-10-19(2)11-8-16/h15-16H,4-14H2,1-3H3
InChIKeyPXPPYMODJFUHDN-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.20
Rot. Bonds6

About ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate (PubChem CID 110838688) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
PubChem CID110838688
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nameethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-24-18(23)15-5-13-21(14-6-15)17(22)9-12-20(3)16-7-10-19(2)11-8-16/h15-16H,4-14H2,1-3H3
InChIKeyPXPPYMODJFUHDN-UHFFFAOYSA-N
XLogP1.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
ethyl 1-[3-[butan-2-yl(3,3-dimethylbutanoyl)amino]propanoyl]piperidine-4-carboxylate
CID 42698996
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate (CID 110838688) is ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN(C)C2CCN(C)CC2)CC1.
What is the InChIKey of ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is PXPPYMODJFUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-24-18(23)15-5-13-21(14-6-15)17(22)9-12-20(3)16-7-10-19(2)11-8-16/h15-16H,4-14H2,1-3H3.
What are the key properties of ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 110838688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).