N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C26H28N2O4 — CID 46433629

IUPACN-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O4/c1-31-16-17-32-22-13-11-21(12-14-22)27-25(29)20-8-5-15-28(18-20)26(30)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-14,20H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyHIYZHTQBWGBXHQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.36
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 46433629) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID46433629
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O4/c1-31-16-17-32-22-13-11-21(12-14-22)27-25(29)20-8-5-15-28(18-20)26(30)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-14,20H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyHIYZHTQBWGBXHQ-UHFFFAOYSA-N
XLogP4.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 75861710
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 60589795
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 46433629) is N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is COCCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is HIYZHTQBWGBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-31-16-17-32-22-13-11-21(12-14-22)27-25(29)20-8-5-15-28(18-20)26(30)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-14,20H,5,8,15-18H2,1H3,(H,27,29).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46433629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).