ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

C18H27N3O3 — CID 109003618

IUPACethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-21(16-8-6-5-7-9-16)17(22)14-19-15-10-12-20(13-11-15)18(23)24-4-2/h5-9,15,19H,3-4,10-14H2,1-2H3
InChIKeySNVJVCQEZHPBFU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.25
Rot. Bonds6

About ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 109003618) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID109003618
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-21(16-8-6-5-7-9-16)17(22)14-19-15-10-12-20(13-11-15)18(23)24-4-2/h5-9,15,19H,3-4,10-14H2,1-2H3
InChIKeySNVJVCQEZHPBFU-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 109003618) is ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)N(CC)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is SNVJVCQEZHPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21(16-8-6-5-7-9-16)17(22)14-19-15-10-12-20(13-11-15)18(23)24-4-2/h5-9,15,19H,3-4,10-14H2,1-2H3.
What are the key properties of ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).