1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide

C26H28N2O3 — CID 55890166

IUPAC1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O3/c1-19-11-13-21(14-12-19)26(30)28-16-5-8-22(18-28)25(29)27-15-17-31-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyHXFPQBSBYXUODX-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.20
Rot. Bonds6

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

1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide (PubChem CID 55890166) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
PubChem CID55890166
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O3/c1-19-11-13-21(14-12-19)26(30)28-16-5-8-22(18-28)25(29)27-15-17-31-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyHXFPQBSBYXUODX-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.20
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-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
CID 110900873
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 55567061
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide (CID 55890166) is 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCCOc3cccc4ccccc34)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide?
The InChIKey is HXFPQBSBYXUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19-11-13-21(14-12-19)26(30)28-16-5-8-22(18-28)25(29)27-15-17-31-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29).
What are the key properties of 1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.20, 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-naphthalen-1-yloxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55890166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).