2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C22H27N3O3 — CID 54837978

IUPAC2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-10-8-17(9-11-20)15-23-16-21(26)24-19-7-5-6-18(14-19)22(27)25-12-3-2-4-13-25/h5-11,14,23H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyZPEPCCXJEFHVAO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.05
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54837978) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54837978
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-10-8-17(9-11-20)15-23-16-21(26)24-19-7-5-6-18(14-19)22(27)25-12-3-2-4-13-25/h5-11,14,23H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyZPEPCCXJEFHVAO-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 26159338
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54837826
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54837978) is 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is COc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ZPEPCCXJEFHVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-10-8-17(9-11-20)15-23-16-21(26)24-19-7-5-6-18(14-19)22(27)25-12-3-2-4-13-25/h5-11,14,23H,2-4,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54837978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).