2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C22H28Cl2N4O — CID 22245704

IUPAC2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCN(C(=O)CNc1cc(Cl)c(N)cc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28Cl2N4O/c1-27(22(29)15-26-21-14-18(23)20(25)13-19(21)24)17-8-11-28(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,13-14,17,26H,7-12,15,25H2,1H3
InChIKeyPYBQYANSVNWVQB-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 22245704) has the molecular formula C22H28Cl2N4O and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID22245704
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.40 g/mol
Exact Mass434.16
IUPAC Name2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCN(C(=O)CNc1cc(Cl)c(N)cc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28Cl2N4O/c1-27(22(29)15-26-21-14-18(23)20(25)13-19(21)24)17-8-11-28(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,13-14,17,26H,7-12,15,25H2,1H3
InChIKeyPYBQYANSVNWVQB-UHFFFAOYSA-N
XLogP4.15
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 22245704) is 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is CN(C(=O)CNc1cc(Cl)c(N)cc1Cl)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is PYBQYANSVNWVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O/c1-27(22(29)15-26-21-14-18(23)20(25)13-19(21)24)17-8-11-28(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,13-14,17,26H,7-12,15,25H2,1H3.
What are the key properties of 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 435.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 22245704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).