N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide

C16H22N2O2 — CID 62655914

IUPACN-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C=O)CC2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-15(13(2)9-12)17-16(20)10-18-7-5-14(11-19)6-8-18/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyBXWDGAFBRBVATM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.15
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide

N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide (PubChem CID 62655914) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
PubChem CID62655914
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C=O)CC2)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-15(13(2)9-12)17-16(20)10-18-7-5-14(11-19)6-8-18/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyBXWDGAFBRBVATM-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71859833
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide (CID 62655914) is N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCC(C=O)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The InChIKey is BXWDGAFBRBVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-4-15(13(2)9-12)17-16(20)10-18-7-5-14(11-19)6-8-18/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62655914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).