N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

C25H32N4O3 — CID 54843134

IUPACN-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)ccc1C
InChIInChI=1S/C25H32N4O3/c1-4-23(30)28-22-15-21(9-8-18(22)3)27-24(31)16-26-20-7-5-6-19(14-20)25(32)29-12-10-17(2)11-13-29/h5-9,14-15,17,26H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyOIBWMMJDXKVUMN-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.27
Rot. Bonds7

About N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54843134) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54843134
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)ccc1C
InChIInChI=1S/C25H32N4O3/c1-4-23(30)28-22-15-21(9-8-18(22)3)27-24(31)16-26-20-7-5-6-19(14-20)25(32)29-12-10-17(2)11-13-29/h5-9,14-15,17,26H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyOIBWMMJDXKVUMN-UHFFFAOYSA-N
XLogP4.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54819279

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (CID 54843134) is N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is OIBWMMJDXKVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-23(30)28-22-15-21(9-8-18(22)3)27-24(31)16-26-20-7-5-6-19(14-20)25(32)29-12-10-17(2)11-13-29/h5-9,14-15,17,26H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54843134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).