ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate

C14H26N2O3 — CID 60750746

IUPACethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)NC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)12-6-5-8-16(10-12)9-7-13(17)15-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyROJCPYTXOBTHOC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds6

About ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate

ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate (PubChem CID 60750746) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
PubChem CID60750746
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)NC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)12-6-5-8-16(10-12)9-7-13(17)15-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyROJCPYTXOBTHOC-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3R)-1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 740099
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate (CID 60750746) is ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(=O)NC(C)C)C1.
What is the InChIKey of ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate?
The InChIKey is ROJCPYTXOBTHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-14(18)12-6-5-8-16(10-12)9-7-13(17)15-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate?
ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate is sourced from PubChem (CID 60750746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).