4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide

C18H28N2O — CID 114428574

IUPAC4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCC(C)(C)c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-4-14-10-11-19-16(12-14)17(21)20-13-18(2,3)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3,(H,20,21)
InChIKeyINVPYHLZWBNZOB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds5

About 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide

4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide (PubChem CID 114428574) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
PubChem CID114428574
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCC(C)(C)c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-4-14-10-11-19-16(12-14)17(21)20-13-18(2,3)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3,(H,20,21)
InChIKeyINVPYHLZWBNZOB-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide (CID 114428574) is 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NCC(C)(C)c2ccccc2)C1.
What is the InChIKey of 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is INVPYHLZWBNZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-14-10-11-19-16(12-14)17(21)20-13-18(2,3)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide?
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).