4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide

C17H24N2O2 — CID 110198056

IUPAC4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-18-17(21)16-6-4-14(5-7-16)12-15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyDZSAHGWHEYZWOA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds4

About 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide

4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide (PubChem CID 110198056) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
PubChem CID110198056
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-18-17(21)16-6-4-14(5-7-16)12-15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyDZSAHGWHEYZWOA-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606
4-[[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111152426
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
1-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]ethanone
CID 18538586
4-[[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111152425
1-[4-[(4-piperazin-1-ylphenyl)methyl]piperidin-1-yl]ethanone
CID 19390831
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
N-ethyl-4-[[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111747539
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide (CID 110198056) is 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide?
The InChIKey is DZSAHGWHEYZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18-17(21)16-6-4-14(5-7-16)12-15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide?
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 110198056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).