5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide

C22H26BrN3O3 — CID 3349119

IUPAC5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1
InChIInChI=1S/C22H26BrN3O3/c1-29-14-11-24-22(28)19-15-18(9-10-20(19)26-12-3-2-4-13-26)25-21(27)16-5-7-17(23)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyCFCVGPWVZPYPNS-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.07
Rot. Bonds7

About 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide

5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide (PubChem CID 3349119) has the molecular formula C22H26BrN3O3 and a molecular weight of 460.37 g/mol. Its IUPAC name is 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
PubChem CID3349119
Molecular FormulaC22H26BrN3O3
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1
InChIInChI=1S/C22H26BrN3O3/c1-29-14-11-24-22(28)19-15-18(9-10-20(19)26-12-3-2-4-13-26)25-21(27)16-5-7-17(23)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyCFCVGPWVZPYPNS-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.07
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-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
3,4-dichloro-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 4528462
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5134042
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
ethyl 4-[[3-(2-methoxyethylcarbamoyl)-4-piperidin-1-ylphenyl]carbamoylamino]benzoate
CID 4551645
N-benzyl-5-[(4-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268
N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4043686
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide (CID 3349119) is 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide is COCCNC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is CFCVGPWVZPYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O3/c1-29-14-11-24-22(28)19-15-18(9-10-20(19)26-12-3-2-4-13-26)25-21(27)16-5-7-17(23)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide?
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 460.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3349119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).