N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide

C16H24N2O2 — CID 60570389

IUPACN-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC(C)CC2)ccc1C
InChIInChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)16(19)17-11-14-5-4-13(2)15(10-14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyMFNSZIUAOOWKJC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds3

About N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide

N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 60570389) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID60570389
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC(C)CC2)ccc1C
InChIInChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)16(19)17-11-14-5-4-13(2)15(10-14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyMFNSZIUAOOWKJC-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide (CID 60570389) is N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide is COc1cc(CNC(=O)N2CCC(C)CC2)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is MFNSZIUAOOWKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)16(19)17-11-14-5-4-13(2)15(10-14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60570389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).