5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

C24H30ClN3O3 — CID 3890028

IUPAC5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H30ClN3O3/c1-17-9-12-28(13-10-17)22-8-7-20(16-21(22)24(30)26-11-4-14-31-2)27-23(29)18-5-3-6-19(25)15-18/h3,5-8,15-17H,4,9-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIRUBNGPODBPBBS-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.59
Rot. Bonds8

About 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3890028) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3890028
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H30ClN3O3/c1-17-9-12-28(13-10-17)22-8-7-20(16-21(22)24(30)26-11-4-14-31-2)27-23(29)18-5-3-6-19(25)15-18/h3,5-8,15-17H,4,9-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIRUBNGPODBPBBS-UHFFFAOYSA-N
XLogP4.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.59
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-[(3-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751462
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4308801
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 5189813

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 3890028) is 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is COCCCNC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC(C)CC1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is IRUBNGPODBPBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-17-9-12-28(13-10-17)22-8-7-20(16-21(22)24(30)26-11-4-14-31-2)27-23(29)18-5-3-6-19(25)15-18/h3,5-8,15-17H,4,9-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 443.98 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3890028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).