N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

C21H25N3O2 — CID 108761981

IUPACN-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(15-22-21(26)18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)16-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,26)(H,23,25)
InChIKeyAFZLYBJNHLHRJA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds6

About N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (PubChem CID 108761981) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
PubChem CID108761981
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(15-22-21(26)18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)16-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,26)(H,23,25)
InChIKeyAFZLYBJNHLHRJA-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]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-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46669454
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (CID 108761981) is N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is AFZLYBJNHLHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(15-22-21(26)18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)16-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 108761981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).