ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate

C14H27N3O3 — CID 83265878

IUPACethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(N(C)C)CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-6-20-12(18)11-14(16(4)5)7-9-17(10-8-14)13(19)15(2)3/h6-11H2,1-5H3
InChIKeyQXHKRWSYBPTVDQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate

ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate (PubChem CID 83265878) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate
PubChem CID83265878
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(N(C)C)CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-6-20-12(18)11-14(16(4)5)7-9-17(10-8-14)13(19)15(2)3/h6-11H2,1-5H3
InChIKeyQXHKRWSYBPTVDQ-UHFFFAOYSA-N
XLogP1.02
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(1,3-dimethyl-2-oxo-1,3-diazinan-4-yl)acetate
CID 85551205
Methyl 2-(1-tert-butyl-3-methyl-2-oxo-1,3-diazinan-4-yl)acetate
CID 134899457
Methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate
CID 134899515
Methyl 2-(3,4-dimethyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
CID 134899516
Methyl 2-(3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl)acetate
CID 134900701
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate
CID 134981542
Ethyl 1-[(dimethylamino)carbonyl]piperidine-3-carboxylate
CID 2973524
Ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 2986637
ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
CID 2228482
Ethyl 2-(1-carbamoylpiperidin-4-yl)acetate
CID 18722730
Ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate
CID 23588410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate (CID 83265878) is ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate is CCOC(=O)CC1(N(C)C)CCN(C(=O)N(C)C)CC1.
What is the InChIKey of ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate?
The InChIKey is QXHKRWSYBPTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-20-12(18)11-14(16(4)5)7-9-17(10-8-14)13(19)15(2)3/h6-11H2,1-5H3.
What are the key properties of ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate?
ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate has a molecular weight of 285.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate is sourced from PubChem (CID 83265878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).