ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate

C17H31N3O4 — CID 113122152

IUPACethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N(CC)CC)C(C)=O)CC1
InChIInChI=1S/C17H31N3O4/c1-5-18(6-2)16(22)10-13-20(14(4)21)15-8-11-19(12-9-15)17(23)24-7-3/h15H,5-13H2,1-4H3
InChIKeyGKKRFKSLXRROGD-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.71
Rot. Bonds7

About ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 113122152) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID113122152
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nameethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N(CC)CC)C(C)=O)CC1
InChIInChI=1S/C17H31N3O4/c1-5-18(6-2)16(22)10-13-20(14(4)21)15-8-11-19(12-9-15)17(23)24-7-3/h15H,5-13H2,1-4H3
InChIKeyGKKRFKSLXRROGD-UHFFFAOYSA-N
XLogP1.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 113122152) is ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)N(CC)CC)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is GKKRFKSLXRROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-5-18(6-2)16(22)10-13-20(14(4)21)15-8-11-19(12-9-15)17(23)24-7-3/h15H,5-13H2,1-4H3.
What are the key properties of ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[3-(diethylamino)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).