N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide

C27H32N2O2 — CID 122188505

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C27H32N2O2/c1-31-26-11-10-23-19-25(9-8-24(23)20-26)27(30)28-14-5-15-29-16-12-22(13-17-29)18-21-6-3-2-4-7-21/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,28,30)
InChIKeyBJTGZJWWRAYVMS-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.92
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide (PubChem CID 122188505) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide
PubChem CID122188505
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C27H32N2O2/c1-31-26-11-10-23-19-25(9-8-24(23)20-26)27(30)28-14-5-15-29-16-12-22(13-17-29)18-21-6-3-2-4-7-21/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,28,30)
InChIKeyBJTGZJWWRAYVMS-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide (CID 122188505) is N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide is COc1ccc2cc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)ccc2c1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide?
The InChIKey is BJTGZJWWRAYVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-31-26-11-10-23-19-25(9-8-24(23)20-26)27(30)28-14-5-15-29-16-12-22(13-17-29)18-21-6-3-2-4-7-21/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,28,30).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 122188505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).