N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide

C18H28N2O2 — CID 82260260

IUPACN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC2CCNCC2)cc1OCC
InChIInChI=1S/C18H28N2O2/c1-3-5-18(21)20-16-7-6-15(13-17(16)22-4-2)12-14-8-10-19-11-9-14/h6-7,13-14,19H,3-5,8-12H2,1-2H3,(H,20,21)
InChIKeyPBNKHVRQITUORJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.37
Rot. Bonds7

About N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide

N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide (PubChem CID 82260260) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
PubChem CID82260260
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC2CCNCC2)cc1OCC
InChIInChI=1S/C18H28N2O2/c1-3-5-18(21)20-16-7-6-15(13-17(16)22-4-2)12-14-8-10-19-11-9-14/h6-7,13-14,19H,3-5,8-12H2,1-2H3,(H,20,21)
InChIKeyPBNKHVRQITUORJ-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260265
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
CID 82260151
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
CID 82259817
N-[4-(2-bromo-2-methylpropanoyl)-2-ethoxyphenyl]butanamide
CID 82258987
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
3-piperidin-4-yl-N-(2-propylphenyl)propanamide;hydrochloride
CID 75418755
N-[4-(2-bromo-3-methylbutanoyl)-2-ethoxyphenyl]butanamide
CID 82258920
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide (CID 82260260) is N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide is CCCC(=O)Nc1ccc(CC2CCNCC2)cc1OCC.
What is the InChIKey of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide?
The InChIKey is PBNKHVRQITUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-18(21)20-16-7-6-15(13-17(16)22-4-2)12-14-8-10-19-11-9-14/h6-7,13-14,19H,3-5,8-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide?
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide has a molecular weight of 304.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 82260260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).