5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

C23H37N3O3 — CID 3296405

IUPAC5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C23H37N3O3/c1-4-5-6-7-8-22(27)25-19-9-10-21(26-14-11-18(2)12-15-26)20(17-19)23(28)24-13-16-29-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGRDGHMAZFXNONX-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.21
Rot. Bonds11

About 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3296405) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3296405
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C23H37N3O3/c1-4-5-6-7-8-22(27)25-19-9-10-21(26-14-11-18(2)12-15-26)20(17-19)23(28)24-13-16-29-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGRDGHMAZFXNONX-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3721229
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7230501
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032

Frequently Asked Questions

What is the IUPAC name of 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 3296405) is 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is CCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1.
What is the InChIKey of 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is GRDGHMAZFXNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-4-5-6-7-8-22(27)25-19-9-10-21(26-14-11-18(2)12-15-26)20(17-19)23(28)24-13-16-29-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 403.57 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3296405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).