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

C18H26N2O3 — CID 26288905

IUPACethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-23-18(22)20-11-9-15(10-12-20)17(21)19-16-7-5-14(6-8-16)13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyCWYPFDBNQIAUMO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.62
Rot. Bonds4

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

ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 26288905) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID26288905
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-23-18(22)20-11-9-15(10-12-20)17(21)19-16-7-5-14(6-8-16)13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyCWYPFDBNQIAUMO-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 51000910
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate (CID 26288905) is ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is CWYPFDBNQIAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-23-18(22)20-11-9-15(10-12-20)17(21)19-16-7-5-14(6-8-16)13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate?
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 26288905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).