N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide

C18H23N2O+ — CID 9091090

IUPACN-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
SMILESCC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O/c1-2-20-11-9-17(10-12-20)19-18(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,2,9-12H2,1H3,(H,19,21)/p+1
InChIKeyBGTXEBPSEFPNFV-UHFFFAOYSA-O
MW283.40 g/mol
LogP1.64
Rot. Bonds3

About N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide

N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide (PubChem CID 9091090) has the molecular formula C18H23N2O+ and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
PubChem CID9091090
Molecular FormulaC18H23N2O+
Molecular Weight283.40 g/mol
Exact Mass283.18
IUPAC NameN-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
SMILESCC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O/c1-2-20-11-9-17(10-12-20)19-18(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,2,9-12H2,1H3,(H,19,21)/p+1
InChIKeyBGTXEBPSEFPNFV-UHFFFAOYSA-O
XLogP1.64
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 9091102
N-propylnaphthalene-2-carboxamide
CID 6624536
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide
CID 142804428
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-(2-oxo-1-azaspiro[4.5]decan-8-yl)naphthalene-2-carboxamide
CID 97412554
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
CID 162657511
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide (CID 9091090) is N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide is CC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide?
The InChIKey is BGTXEBPSEFPNFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O/c1-2-20-11-9-17(10-12-20)19-18(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,2,9-12H2,1H3,(H,19,21)/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide?
N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 9091090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).