ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C15H28N2O3 — CID 60718676

IUPACethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCCCNC(=O)C(C)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-6-9-16-14(18)12(3)17-10-7-13(8-11-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyADPRSUKDFRWIEU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds7

About ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 60718676) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID60718676
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCCCNC(=O)C(C)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-6-9-16-14(18)12(3)17-10-7-13(8-11-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyADPRSUKDFRWIEU-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 60718676) is ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCCCNC(=O)C(C)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is ADPRSUKDFRWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-9-16-14(18)12(3)17-10-7-13(8-11-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 60718676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).