1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide

C23H28N2O3 — CID 46422462

IUPAC1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-8-10-19(11-9-17)23(27)25-13-4-6-20(16-25)22(26)24-12-14-28-21-7-3-5-18(2)15-21/h3,5,7-11,15,20H,4,6,12-14,16H2,1-2H3,(H,24,26)
InChIKeyDASIOUGKEUSKBR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds6

About 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide

1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 46422462) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
PubChem CID46422462
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-8-10-19(11-9-17)23(27)25-13-4-6-20(16-25)22(26)24-12-14-28-21-7-3-5-18(2)15-21/h3,5,7-11,15,20H,4,6,12-14,16H2,1-2H3,(H,24,26)
InChIKeyDASIOUGKEUSKBR-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 9224222
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111143750

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (CID 46422462) is 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc(C)c3)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is DASIOUGKEUSKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-8-10-19(11-9-17)23(27)25-13-4-6-20(16-25)22(26)24-12-14-28-21-7-3-5-18(2)15-21/h3,5,7-11,15,20H,4,6,12-14,16H2,1-2H3,(H,24,26).
What are the key properties of 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).