4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide

C18H25ClN2O2 — CID 17407936

IUPAC4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCC1CC(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-13-10-14(2)12-21(11-13)17(22)4-3-9-20-18(23)15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyGQWJOSDJOBQZGY-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.35
Rot. Bonds5

About 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide

4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide (PubChem CID 17407936) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
PubChem CID17407936
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCC1CC(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-13-10-14(2)12-21(11-13)17(22)4-3-9-20-18(23)15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyGQWJOSDJOBQZGY-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide (CID 17407936) is 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide is CC1CC(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide?
The InChIKey is GQWJOSDJOBQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-10-14(2)12-21(11-13)17(22)4-3-9-20-18(23)15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide?
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide has a molecular weight of 336.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 17407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).