N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C23H25N3O — CID 7342466

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O/c1-2-25-14-16-26(17-15-25)20-12-10-19(11-13-20)24-23(27)22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,24,27)
InChIKeyWWHJBACCYIUHCD-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.23
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 7342466) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID7342466
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O/c1-2-25-14-16-26(17-15-25)20-12-10-19(11-13-20)24-23(27)22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,24,27)
InChIKeyWWHJBACCYIUHCD-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
(2R,3S)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 40796122
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3879741
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 21216609

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 7342466) is N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is WWHJBACCYIUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-25-14-16-26(17-15-25)20-12-10-19(11-13-20)24-23(27)22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7342466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).