ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

C20H31N3O3 — CID 109003626

IUPACethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-5-26-19(25)23-12-10-16(11-13-23)21-14-18(24)22-17-8-6-15(7-9-17)20(2,3)4/h6-9,16,21H,5,10-14H2,1-4H3,(H,22,24)
InChIKeyNOPWSERBHXAUPI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.13
Rot. Bonds5

About ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 109003626) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID109003626
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nameethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-5-26-19(25)23-12-10-16(11-13-23)21-14-18(24)22-17-8-6-15(7-9-17)20(2,3)4/h6-9,16,21H,5,10-14H2,1-4H3,(H,22,24)
InChIKeyNOPWSERBHXAUPI-UHFFFAOYSA-N
XLogP3.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003652
ethyl 4-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003641
ethyl 4-[3-(4-tert-butylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950332
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 109003626) is ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is NOPWSERBHXAUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-26-19(25)23-12-10-16(11-13-23)21-14-18(24)22-17-8-6-15(7-9-17)20(2,3)4/h6-9,16,21H,5,10-14H2,1-4H3,(H,22,24).
What are the key properties of ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).