2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

C24H30N4O3 — CID 54843283

IUPAC2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17(2)23(30)27-21-11-7-10-20(15-21)26-22(29)16-25-19-9-6-8-18(14-19)24(31)28-12-4-3-5-13-28/h6-11,14-15,17,25H,3-5,12-13,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBCFKQJXRSKRIOR-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.96
Rot. Bonds7

About 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54843283) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54843283
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17(2)23(30)27-21-11-7-10-20(15-21)26-22(29)16-25-19-9-6-8-18(14-19)24(31)28-12-4-3-5-13-28/h6-11,14-15,17,25H,3-5,12-13,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBCFKQJXRSKRIOR-UHFFFAOYSA-N
XLogP3.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (CID 54843283) is 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is BCFKQJXRSKRIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(2)23(30)27-21-11-7-10-20(15-21)26-22(29)16-25-19-9-6-8-18(14-19)24(31)28-12-4-3-5-13-28/h6-11,14-15,17,25H,3-5,12-13,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54843283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).