1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide

C22H26N2O3 — CID 113007461

IUPAC1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)22(26)24-11-9-17(10-12-24)21(25)23-19-5-4-6-20(14-19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25)
InChIKeyWEPNFLVZKFMTNL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.80
Rot. Bonds4

About 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide

1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 113007461) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID113007461
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)22(26)24-11-9-17(10-12-24)21(25)23-19-5-4-6-20(14-19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25)
InChIKeyWEPNFLVZKFMTNL-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 113007461) is 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is WEPNFLVZKFMTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)22(26)24-11-9-17(10-12-24)21(25)23-19-5-4-6-20(14-19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25).
What are the key properties of 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).