N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide

C28H34N2O3 — CID 69074724

IUPACN-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3cc(OCCCN4CCCCC4C)ccc3c2)c1
InChIInChI=1S/C28H34N2O3/c1-21-7-3-4-14-30(21)15-6-16-33-27-13-12-23-18-25(11-10-24(23)19-27)28(31)29-20-22-8-5-9-26(17-22)32-2/h5,8-13,17-19,21H,3-4,6-7,14-16,20H2,1-2H3,(H,29,31)
InChIKeyPNHSKILXARYZQE-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.42
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide (PubChem CID 69074724) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
PubChem CID69074724
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3cc(OCCCN4CCCCC4C)ccc3c2)c1
InChIInChI=1S/C28H34N2O3/c1-21-7-3-4-14-30(21)15-6-16-33-27-13-12-23-18-25(11-10-24(23)19-27)28(31)29-20-22-8-5-9-26(17-22)32-2/h5,8-13,17-19,21H,3-4,6-7,14-16,20H2,1-2H3,(H,29,31)
InChIKeyPNHSKILXARYZQE-UHFFFAOYSA-N
XLogP5.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249000
2-[(3-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 24782975
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370323
4-[3-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]phenoxy]butanenitrile
CID 119108974
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide (CID 69074724) is N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide is COc1cccc(CNC(=O)c2ccc3cc(OCCCN4CCCCC4C)ccc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide?
The InChIKey is PNHSKILXARYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-21-7-3-4-14-30(21)15-6-16-33-27-13-12-23-18-25(11-10-24(23)19-27)28(31)29-20-22-8-5-9-26(17-22)32-2/h5,8-13,17-19,21H,3-4,6-7,14-16,20H2,1-2H3,(H,29,31).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 69074724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).