ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate

C15H29N3O3 — CID 63382592

IUPACethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)N(C)CCCN)CC1
InChIInChI=1S/C15H29N3O3/c1-3-21-15(20)13-5-10-18(11-6-13)12-7-14(19)17(2)9-4-8-16/h13H,3-12,16H2,1-2H3
InChIKeySEQQDZYFZUGWBG-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.46
Rot. Bonds8

About ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate

ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 63382592) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate
PubChem CID63382592
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nameethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)N(C)CCCN)CC1
InChIInChI=1S/C15H29N3O3/c1-3-21-15(20)13-5-10-18(11-6-13)12-7-14(19)17(2)9-4-8-16/h13H,3-12,16H2,1-2H3
InChIKeySEQQDZYFZUGWBG-UHFFFAOYSA-N
XLogP0.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate (CID 63382592) is ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)N(C)CCCN)CC1.
What is the InChIKey of ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is SEQQDZYFZUGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-21-15(20)13-5-10-18(11-6-13)12-7-14(19)17(2)9-4-8-16/h13H,3-12,16H2,1-2H3.
What are the key properties of ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate?
ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 63382592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).