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

C16H23N3O2 — CID 43787652

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-17-16(21)13-4-6-14(7-5-13)18-15-8-10-19(11-9-15)12(2)20/h4-7,15,18H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyLMSAMWDUQWTTSR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds4

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

4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide (PubChem CID 43787652) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
PubChem CID43787652
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-17-16(21)13-4-6-14(7-5-13)18-15-8-10-19(11-9-15)12(2)20/h4-7,15,18H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyLMSAMWDUQWTTSR-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide (CID 43787652) is 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide?
The InChIKey is LMSAMWDUQWTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-17-16(21)13-4-6-14(7-5-13)18-15-8-10-19(11-9-15)12(2)20/h4-7,15,18H,3,8-11H2,1-2H3,(H,17,21).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide?
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide is sourced from PubChem (CID 43787652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).