ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate

C19H28N2O3 — CID 110766816

IUPACethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)21-11-9-17(10-12-21)20-18(22)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyDJPKCUMKLQWOSS-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.09
Rot. Bonds5

About ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110766816) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110766816
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)21-11-9-17(10-12-21)20-18(22)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyDJPKCUMKLQWOSS-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8616599
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2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
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CID 26288905
ethyl 4-[[1-methyl-5-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110336491
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108561337
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
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CID 110413273

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate (CID 110766816) is ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is DJPKCUMKLQWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-19(23)21-11-9-17(10-12-21)20-18(22)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110766816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).