N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide

C24H31FN4O2 — CID 42848136

IUPACN-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H31FN4O2/c1-28(2)14-6-13-26-24(31)21-9-3-4-10-22(21)29-15-11-20(12-16-29)27-23(30)18-7-5-8-19(25)17-18/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyVRTAKVDFGSBJBL-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.91
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide

N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide (PubChem CID 42848136) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
PubChem CID42848136
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H31FN4O2/c1-28(2)14-6-13-26-24(31)21-9-3-4-10-22(21)29-15-11-20(12-16-29)27-23(30)18-7-5-8-19(25)17-18/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyVRTAKVDFGSBJBL-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848459
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide (CID 42848136) is N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide is CN(C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide?
The InChIKey is VRTAKVDFGSBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-28(2)14-6-13-26-24(31)21-9-3-4-10-22(21)29-15-11-20(12-16-29)27-23(30)18-7-5-8-19(25)17-18/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide?
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42848136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).