N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide

C22H27N3O2 — CID 54841740

IUPACN-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)14-20(13-16)24-21(26)15-23-19-8-6-18(7-9-19)22(27)25-10-4-3-5-11-25/h6-9,12-14,23H,3-5,10-11,15H2,1-2H3,(H,24,26)
InChIKeySHTDECQQKBMFFJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.98
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide

N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54841740) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54841740
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)14-20(13-16)24-21(26)15-23-19-8-6-18(7-9-19)22(27)25-10-4-3-5-11-25/h6-9,12-14,23H,3-5,10-11,15H2,1-2H3,(H,24,26)
InChIKeySHTDECQQKBMFFJ-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834153
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide (CID 54841740) is N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide is Cc1cc(C)cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is SHTDECQQKBMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-12-17(2)14-20(13-16)24-21(26)15-23-19-8-6-18(7-9-19)22(27)25-10-4-3-5-11-25/h6-9,12-14,23H,3-5,10-11,15H2,1-2H3,(H,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).