ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate

C14H24N2O3 — CID 60676295

IUPACethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
SMILESC=CCNC(=O)C(C)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C14H24N2O3/c1-4-8-15-13(17)11(3)16-9-6-7-12(10-16)14(18)19-5-2/h4,11-12H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyOKGCJRHZGDNXAO-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.95
Rot. Bonds6

About ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate

ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate (PubChem CID 60676295) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
PubChem CID60676295
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
SMILESC=CCNC(=O)C(C)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C14H24N2O3/c1-4-8-15-13(17)11(3)16-9-6-7-12(10-16)14(18)19-5-2/h4,11-12H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyOKGCJRHZGDNXAO-UHFFFAOYSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
ethyl 1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631177
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl (3S)-1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-3-carboxylate
CID 98764431
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate (CID 60676295) is ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate is C=CCNC(=O)C(C)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate?
The InChIKey is OKGCJRHZGDNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-8-15-13(17)11(3)16-9-6-7-12(10-16)14(18)19-5-2/h4,11-12H,1,5-10H2,2-3H3,(H,15,17).
What are the key properties of ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate?
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 60676295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).