N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C29H32N4O3 — CID 54843624

IUPACN-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)31-28(35)23-12-8-15-26(18-23)32-27(34)20-30-25-14-9-13-24(19-25)29(36)33-16-6-3-7-17-33/h2,4-5,8-15,18-19,21,30H,3,6-7,16-17,20H2,1H3,(H,31,35)(H,32,34)
InChIKeyFCNXOIBEUICBLQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.85
Rot. Bonds8

About N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843624) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843624
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)31-28(35)23-12-8-15-26(18-23)32-27(34)20-30-25-14-9-13-24(19-25)29(36)33-16-6-3-7-17-33/h2,4-5,8-15,18-19,21,30H,3,6-7,16-17,20H2,1H3,(H,31,35)(H,32,34)
InChIKeyFCNXOIBEUICBLQ-UHFFFAOYSA-N
XLogP4.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843624) is N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CC(NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is FCNXOIBEUICBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)31-28(35)23-12-8-15-26(18-23)32-27(34)20-30-25-14-9-13-24(19-25)29(36)33-16-6-3-7-17-33/h2,4-5,8-15,18-19,21,30H,3,6-7,16-17,20H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).