4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C16H24N2O2 — CID 16895373

IUPAC4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)16(19)17-12-13-8-10-18(2)11-9-13/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyKECYABQVWBIGGT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds5

About 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 16895373) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID16895373
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)16(19)17-12-13-8-10-18(2)11-9-13/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyKECYABQVWBIGGT-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 16895373) is 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CCOc1ccc(C(=O)NCC2CCN(C)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is KECYABQVWBIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)16(19)17-12-13-8-10-18(2)11-9-13/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 16895373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).