methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate

C31H40N2O2 — CID 142707466

IUPACmethyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(CCc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H40N2O2/c1-35-31(34)17-6-3-9-21-33(24-18-28-15-10-14-27-13-7-8-16-30(27)28)29-19-22-32(23-20-29)25-26-11-4-2-5-12-26/h2,4-5,7-8,10-16,29H,3,6,9,17-25H2,1H3
InChIKeyJVLXLNANDVUWRZ-UHFFFAOYSA-N
MW472.67 g/mol
LogP6.08
Rot. Bonds12

About methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate

methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate (PubChem CID 142707466) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate
PubChem CID142707466
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC Namemethyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(CCc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H40N2O2/c1-35-31(34)17-6-3-9-21-33(24-18-28-15-10-14-27-13-7-8-16-30(27)28)29-19-22-32(23-20-29)25-26-11-4-2-5-12-26/h2,4-5,7-8,10-16,29H,3,6,9,17-25H2,1H3
InChIKeyJVLXLNANDVUWRZ-UHFFFAOYSA-N
XLogP6.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate with MolForge

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Related Compounds

6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707485
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
methyl 5-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 110959728
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate (CID 142707466) is methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate is COC(=O)CCCCCN(CCc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate?
The InChIKey is JVLXLNANDVUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2/c1-35-31(34)17-6-3-9-21-33(24-18-28-15-10-14-27-13-7-8-16-30(27)28)29-19-22-32(23-20-29)25-26-11-4-2-5-12-26/h2,4-5,7-8,10-16,29H,3,6,9,17-25H2,1H3.
What are the key properties of methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate?
methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate has a molecular weight of 472.67 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-benzylpiperidin-4-yl)-(2-naphthalen-1-ylethyl)amino]hexanoate is sourced from PubChem (CID 142707466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).