N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide

C26H32N2O — CID 42700955

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(CCN1CCCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C26H32N2O/c29-26(24-11-10-21-6-2-3-7-22(21)18-24)28(15-14-27-12-4-1-5-13-27)19-25-17-20-8-9-23(25)16-20/h2-3,6-11,18,20,23,25H,1,4-5,12-17,19H2
InChIKeyGPQJRCASDCIACY-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.98
Rot. Bonds6

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide (PubChem CID 42700955) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
PubChem CID42700955
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(CCN1CCCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C26H32N2O/c29-26(24-11-10-21-6-2-3-7-22(21)18-24)28(15-14-27-12-4-1-5-13-27)19-25-17-20-8-9-23(25)16-20/h2-3,6-11,18,20,23,25H,1,4-5,12-17,19H2
InChIKeyGPQJRCASDCIACY-UHFFFAOYSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
CID 42700952
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11921796
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42709163
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42700974
N-(cyclohex-3-en-1-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 42780839
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 4196969
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 18558083
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide (CID 42700955) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide is O=C(c1ccc2ccccc2c1)N(CCN1CCCCC1)CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide?
The InChIKey is GPQJRCASDCIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c29-26(24-11-10-21-6-2-3-7-22(21)18-24)28(15-14-27-12-4-1-5-13-27)19-25-17-20-8-9-23(25)16-20/h2-3,6-11,18,20,23,25H,1,4-5,12-17,19H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 42700955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).