3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide

C26H31N5O2 — CID 155945950

IUPAC3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1
InChIInChI=1S/C26H31N5O2/c32-25(12-17-31-18-13-27-20-31)28-24-6-4-5-22(19-24)26(33)29-23-9-7-21(8-10-23)11-16-30-14-2-1-3-15-30/h4-10,13,18-20H,1-3,11-12,14-17H2,(H,28,32)(H,29,33)
InChIKeyFOLGZQHWLSFYIR-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.19
Rot. Bonds9

About 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide

3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide (PubChem CID 155945950) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
PubChem CID155945950
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1
InChIInChI=1S/C26H31N5O2/c32-25(12-17-31-18-13-27-20-31)28-24-6-4-5-22(19-24)26(33)29-23-9-7-21(8-10-23)11-16-30-14-2-1-3-15-30/h4-10,13,18-20H,1-3,11-12,14-17H2,(H,28,32)(H,29,33)
InChIKeyFOLGZQHWLSFYIR-UHFFFAOYSA-N
XLogP4.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]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

N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124293
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
CID 155967280
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide?
The IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide (CID 155945950) is 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide?
The canonical SMILES for 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1.
What is the InChIKey of 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide?
The InChIKey is FOLGZQHWLSFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-25(12-17-31-18-13-27-20-31)28-24-6-4-5-22(19-24)26(33)29-23-9-7-21(8-10-23)11-16-30-14-2-1-3-15-30/h4-10,13,18-20H,1-3,11-12,14-17H2,(H,28,32)(H,29,33).
What are the key properties of 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide?
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide is sourced from PubChem (CID 155945950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).