ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate

C22H34N2O3 — CID 110355792

IUPACethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-5-27-21(26)24-15-13-19(14-16-24)23-20(25)8-6-7-17-9-11-18(12-10-17)22(2,3)4/h9-12,19H,5-8,13-16H2,1-4H3,(H,23,25)
InChIKeyZOOAPVFJQCXGTF-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.04
Rot. Bonds6

About ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate (PubChem CID 110355792) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
PubChem CID110355792
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nameethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-5-27-21(26)24-15-13-19(14-16-24)23-20(25)8-6-7-17-9-11-18(12-10-17)22(2,3)4/h9-12,19H,5-8,13-16H2,1-4H3,(H,23,25)
InChIKeyZOOAPVFJQCXGTF-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[[N'-[(4-tert-butylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111045475
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
CID 86866312
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003626
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[[N'-[2-(4-ethylphenyl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111859831

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate (CID 110355792) is ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate?
The InChIKey is ZOOAPVFJQCXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-5-27-21(26)24-15-13-19(14-16-24)23-20(25)8-6-7-17-9-11-18(12-10-17)22(2,3)4/h9-12,19H,5-8,13-16H2,1-4H3,(H,23,25).
What are the key properties of ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110355792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).