N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide

C21H28N2O — CID 51115800

IUPACN-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
SMILESCC1CCCN(CCCCNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H28N2O/c1-17-7-6-14-23(16-17)13-5-4-12-22-21(24)20-11-10-18-8-2-3-9-19(18)15-20/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,22,24)
InChIKeyPGKDAOYXJNVSOK-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.08
Rot. Bonds6

About N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide

N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide (PubChem CID 51115800) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
PubChem CID51115800
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
SMILESCC1CCCN(CCCCNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H28N2O/c1-17-7-6-14-23(16-17)13-5-4-12-22-21(24)20-11-10-18-8-2-3-9-19(18)15-20/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,22,24)
InChIKeyPGKDAOYXJNVSOK-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
N-[4-(3-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55717539
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide (CID 51115800) is N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide is CC1CCCN(CCCCNC(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The InChIKey is PGKDAOYXJNVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-7-6-14-23(16-17)13-5-4-12-22-21(24)20-11-10-18-8-2-3-9-19(18)15-20/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 51115800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).