N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide

C22H27N3O3 — CID 170145483

IUPACN-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide
SMILESCNc1ccccc1N(C=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-23-20-5-3-4-6-21(20)25(16-26)18-11-13-24(14-12-18)22(27)15-17-7-9-19(28-2)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3
InChIKeyATKKHEQYMOUJPA-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.93
Rot. Bonds7

About N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide

N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide (PubChem CID 170145483) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide
PubChem CID170145483
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide
SMILESCNc1ccccc1N(C=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-23-20-5-3-4-6-21(20)25(16-26)18-11-13-24(14-12-18)22(27)15-17-7-9-19(28-2)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3
InChIKeyATKKHEQYMOUJPA-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]formamide
CID 155248716
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 113002840
2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108932658
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide (CID 170145483) is N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide is CNc1ccccc1N(C=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide?
The InChIKey is ATKKHEQYMOUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-20-5-3-4-6-21(20)25(16-26)18-11-13-24(14-12-18)22(27)15-17-7-9-19(28-2)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3.
What are the key properties of N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide?
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide has a molecular weight of 381.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[2-(methylamino)phenyl]formamide is sourced from PubChem (CID 170145483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).