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

C21H28N2O — CID 51115795

IUPACN-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c1-17-8-4-6-14-23(17)15-7-5-13-22-21(24)20-12-11-18-9-2-3-10-19(18)16-20/h2-3,9-12,16-17H,4-8,13-15H2,1H3,(H,22,24)
InChIKeyJKWFHALVACQKHQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.22
Rot. Bonds6

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

N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide (PubChem CID 51115795) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
PubChem CID51115795
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c1-17-8-4-6-14-23(17)15-7-5-13-22-21(24)20-12-11-18-9-2-3-10-19(18)16-20/h2-3,9-12,16-17H,4-8,13-15H2,1H3,(H,22,24)
InChIKeyJKWFHALVACQKHQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide (CID 51115795) is N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide is CC1CCCCN1CCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
The InChIKey is JKWFHALVACQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-8-4-6-14-23(17)15-7-5-13-22-21(24)20-12-11-18-9-2-3-10-19(18)16-20/h2-3,9-12,16-17H,4-8,13-15H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide?
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 51115795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).