N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide

C19H30N2O — CID 119691647

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
SMILESCCc1ccc(C(NC(=O)CC2CCNCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-15-5-7-17(8-6-15)19(14(2)3)21-18(22)13-16-9-11-20-12-10-16/h5-8,14,16,19-20H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyMIKVTHMSBMOLCR-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide (PubChem CID 119691647) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
PubChem CID119691647
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
SMILESCCc1ccc(C(NC(=O)CC2CCNCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-15-5-7-17(8-6-15)19(14(2)3)21-18(22)13-16-9-11-20-12-10-16/h5-8,14,16,19-20H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyMIKVTHMSBMOLCR-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide (CID 119691647) is N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide is CCc1ccc(C(NC(=O)CC2CCNCC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide?
The InChIKey is MIKVTHMSBMOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-15-5-7-17(8-6-15)19(14(2)3)21-18(22)13-16-9-11-20-12-10-16/h5-8,14,16,19-20H,4,9-13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide has a molecular weight of 302.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 119691647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).