methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate

C14H24N2O4 — CID 61011308

IUPACmethyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-15(10-7-13(18)20-3)14(19)12-5-8-16(9-6-12)11(2)17/h12H,4-10H2,1-3H3
InChIKeyUSULHJFYWSTHQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.66
Rot. Bonds5

About methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate

methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate (PubChem CID 61011308) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
PubChem CID61011308
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-15(10-7-13(18)20-3)14(19)12-5-8-16(9-6-12)11(2)17/h12H,4-10H2,1-3H3
InChIKeyUSULHJFYWSTHQA-UHFFFAOYSA-N
XLogP0.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
N,N-diethyl-1-methoxypiperidine-4-carboxamide
CID 59857748
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
tert-butyl 4-[ethyl(2-hydroxyethyl)carbamoyl]piperidine-1-carboxylate
CID 78855436
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259
1-(cyclopropanecarbonyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005873

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate (CID 61011308) is methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate?
The InChIKey is USULHJFYWSTHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-15(10-7-13(18)20-3)14(19)12-5-8-16(9-6-12)11(2)17/h12H,4-10H2,1-3H3.
What are the key properties of methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate?
methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate has a molecular weight of 284.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate is sourced from PubChem (CID 61011308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).