1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide

C22H26N2O3 — CID 46481032

IUPAC1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-9-11-18(12-10-17)22(26)24-14-5-6-19(16-24)21(25)23-13-15-27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)
InChIKeyWVUXGCINTXBDLH-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.04
Rot. Bonds6

About 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide

1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 46481032) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID46481032
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-9-11-18(12-10-17)22(26)24-14-5-6-19(16-24)21(25)23-13-15-27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)
InChIKeyWVUXGCINTXBDLH-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
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
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 46481032) is 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCCOc3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is WVUXGCINTXBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-9-11-18(12-10-17)22(26)24-14-5-6-19(16-24)21(25)23-13-15-27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25).
What are the key properties of 1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.04, 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-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).