N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide

C21H34N2O — CID 42858289

IUPACN-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(CC)cc1)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C21H34N2O/c1-5-18-7-9-19(10-8-18)23(21(24)6-2)20-12-15-22(16-13-20)14-11-17(3)4/h7-10,17,20H,5-6,11-16H2,1-4H3
InChIKeyYLWZDFMNXAIOCX-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.50
Rot. Bonds7

About N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide

N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide (PubChem CID 42858289) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
PubChem CID42858289
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(CC)cc1)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C21H34N2O/c1-5-18-7-9-19(10-8-18)23(21(24)6-2)20-12-15-22(16-13-20)14-11-17(3)4/h7-10,17,20H,5-6,11-16H2,1-4H3
InChIKeyYLWZDFMNXAIOCX-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide (CID 42858289) is N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccc(CC)cc1)C1CCN(CCC(C)C)CC1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide?
The InChIKey is YLWZDFMNXAIOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-5-18-7-9-19(10-8-18)23(21(24)6-2)20-12-15-22(16-13-20)14-11-17(3)4/h7-10,17,20H,5-6,11-16H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide?
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide has a molecular weight of 330.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42858289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).