N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide

C25H28N2O2 — CID 7911097

IUPACN-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide
SMILESC[C@@H]1CCCN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-18-8-7-13-27(16-18)17-23-21-12-6-5-11-20(21)14-22(24(23)28)25(29)26-15-19-9-3-2-4-10-19/h2-6,9-12,14,18,28H,7-8,13,15-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyDVGVSTLKQANQPQ-GOSISDBHSA-N
MW388.51 g/mol
LogP4.71
Rot. Bonds5

About N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide

N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide (PubChem CID 7911097) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide
PubChem CID7911097
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide
SMILESC[C@@H]1CCCN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-18-8-7-13-27(16-18)17-23-21-12-6-5-11-20(21)14-22(24(23)28)25(29)26-15-19-9-3-2-4-10-19/h2-6,9-12,14,18,28H,7-8,13,15-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyDVGVSTLKQANQPQ-GOSISDBHSA-N
XLogP4.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide (CID 7911097) is N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide is C[C@@H]1CCCN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)C1.
What is the InChIKey of N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is DVGVSTLKQANQPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-8-7-13-27(16-18)17-23-21-12-6-5-11-20(21)14-22(24(23)28)25(29)26-15-19-9-3-2-4-10-19/h2-6,9-12,14,18,28H,7-8,13,15-17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide?
N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-4-[[(3R)-3-methylpiperidin-1-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 7911097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).