3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane

C24H28N2O3 — CID 91474191

IUPAC3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C22H22N2O3.C2H6/c25-20-6-4-5-15-13-19(21(26)14-18(15)20)22(27)23-16-7-9-17(10-8-16)24-11-2-1-3-12-24;1-2/h4-10,13-14,25-26H,1-3,11-12H2,(H,23,27);1-2H3
InChIKeyKYZZQGDJOYLHPQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.52
Rot. Bonds3

About 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane

3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane (PubChem CID 91474191) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane.

Molecular Properties

Compound Name3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane
PubChem CID91474191
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C22H22N2O3.C2H6/c25-20-6-4-5-15-13-19(21(26)14-18(15)20)22(27)23-16-7-9-17(10-8-16)24-11-2-1-3-12-24;1-2/h4-10,13-14,25-26H,1-3,11-12H2,(H,23,27);1-2H3
InChIKeyKYZZQGDJOYLHPQ-UHFFFAOYSA-N
XLogP5.52
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 56569494
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane?
The IUPAC name of 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane (CID 91474191) is 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane.
What is the SMILES notation for 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane?
The canonical SMILES for 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane is CC.O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2cccc(O)c2cc1O.
What is the InChIKey of 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane?
The InChIKey is KYZZQGDJOYLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3.C2H6/c25-20-6-4-5-15-13-19(21(26)14-18(15)20)22(27)23-16-7-9-17(10-8-16)24-11-2-1-3-12-24;1-2/h4-10,13-14,25-26H,1-3,11-12H2,(H,23,27);1-2H3.
What are the key properties of 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane?
3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane has a molecular weight of 392.50 g/mol, XLogP of 5.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane is sourced from PubChem (CID 91474191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).