N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide

C25H26N4O3 — CID 108550446

IUPACN-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C25H26N4O3/c30-23(18-26-24(31)19-6-2-1-3-7-19)27-21-12-16-29(17-13-21)25(32)20-8-10-22(11-9-20)28-14-4-5-15-28/h1-11,14-15,21H,12-13,16-18H2,(H,26,31)(H,27,30)
InChIKeySLRLGGGROOFVPE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.63
Rot. Bonds6

About N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide

N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide (PubChem CID 108550446) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
PubChem CID108550446
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C25H26N4O3/c30-23(18-26-24(31)19-6-2-1-3-7-19)27-21-12-16-29(17-13-21)25(32)20-8-10-22(11-9-20)28-14-4-5-15-28/h1-11,14-15,21H,12-13,16-18H2,(H,26,31)(H,27,30)
InChIKeySLRLGGGROOFVPE-UHFFFAOYSA-N
XLogP2.63
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]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-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide (CID 108550446) is N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The InChIKey is SLRLGGGROOFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-23(18-26-24(31)19-6-2-1-3-7-19)27-21-12-16-29(17-13-21)25(32)20-8-10-22(11-9-20)28-14-4-5-15-28/h1-11,14-15,21H,12-13,16-18H2,(H,26,31)(H,27,30).
What are the key properties of N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 108550446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).