N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide

C18H24N2O2 — CID 167980697

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide
SMILESCOc1ccc(CN(C)C(=O)C#CC2CCNCC2)cc1C
InChIInChI=1S/C18H24N2O2/c1-14-12-16(4-6-17(14)22-3)13-20(2)18(21)7-5-15-8-10-19-11-9-15/h4,6,12,15,19H,8-11,13H2,1-3H3
InChIKeyOSMPXEFVUPHIRW-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.97
Rot. Bonds3

About N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide

N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide (PubChem CID 167980697) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide
PubChem CID167980697
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide
SMILESCOc1ccc(CN(C)C(=O)C#CC2CCNCC2)cc1C
InChIInChI=1S/C18H24N2O2/c1-14-12-16(4-6-17(14)22-3)13-20(2)18(21)7-5-15-8-10-19-11-9-15/h4,6,12,15,19H,8-11,13H2,1-3H3
InChIKeyOSMPXEFVUPHIRW-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 126789862
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115175144
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide (CID 167980697) is N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide is COc1ccc(CN(C)C(=O)C#CC2CCNCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide?
The InChIKey is OSMPXEFVUPHIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-12-16(4-6-17(14)22-3)13-20(2)18(21)7-5-15-8-10-19-11-9-15/h4,6,12,15,19H,8-11,13H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide?
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide has a molecular weight of 300.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide is sourced from PubChem (CID 167980697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).