N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide

C21H26N2O2 — CID 90595860

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-15-4-5-17(14-16(15)2)21(24)22-18-6-8-19(9-7-18)23-12-10-20(25-3)11-13-23/h4-9,14,20H,10-13H2,1-3H3,(H,22,24)
InChIKeyPGWLZEMMPNZSGR-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide (PubChem CID 90595860) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
PubChem CID90595860
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-15-4-5-17(14-16(15)2)21(24)22-18-6-8-19(9-7-18)23-12-10-20(25-3)11-13-23/h4-9,14,20H,10-13H2,1-3H3,(H,22,24)
InChIKeyPGWLZEMMPNZSGR-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide
CID 17127932
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide (CID 90595860) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide is COC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is PGWLZEMMPNZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-4-5-17(14-16(15)2)21(24)22-18-6-8-19(9-7-18)23-12-10-20(25-3)11-13-23/h4-9,14,20H,10-13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 90595860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).