3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide

C23H29Cl2N3O2 — CID 10225840

IUPAC3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide
SMILESCN(C)CCCOc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O2/c1-27(2)12-3-15-30-20-7-5-19(6-8-20)28-13-10-18(11-14-28)26-23(29)17-4-9-21(24)22(25)16-17/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyKLZULNACUNTPIU-UHFFFAOYSA-N
MW450.41 g/mol
LogP4.72
Rot. Bonds8

About 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide

3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide (PubChem CID 10225840) has the molecular formula C23H29Cl2N3O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide
PubChem CID10225840
Molecular FormulaC23H29Cl2N3O2
Molecular Weight450.41 g/mol
Exact Mass449.16
IUPAC Name3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide
SMILESCN(C)CCCOc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29Cl2N3O2/c1-27(2)12-3-15-30-20-7-5-19(6-8-20)28-13-10-18(11-14-28)26-23(29)17-4-9-21(24)22(25)16-17/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyKLZULNACUNTPIU-UHFFFAOYSA-N
XLogP4.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
3,4-dichloro-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549016
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
4-butoxy-N-cyclobutylbenzamide
CID 71449411
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide (CID 10225840) is 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide is CN(C)CCCOc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide?
The InChIKey is KLZULNACUNTPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O2/c1-27(2)12-3-15-30-20-7-5-19(6-8-20)28-13-10-18(11-14-28)26-23(29)17-4-9-21(24)22(25)16-17/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29).
What are the key properties of 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide?
3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide has a molecular weight of 450.41 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 10225840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).