[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone

C25H35N3O2 — CID 69490968

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)C1
InChIInChI=1S/C25H35N3O2/c1-27(2)23-11-13-28(18-23)25(29)22-8-7-21-16-24(10-9-20(21)15-22)30-14-4-6-19-5-3-12-26-17-19/h7-10,15-16,19,23,26H,3-6,11-14,17-18H2,1-2H3
InChIKeyJMEOXBOHKLCDDG-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.77
Rot. Bonds7

About [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 69490968) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID69490968
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)C1
InChIInChI=1S/C25H35N3O2/c1-27(2)23-11-13-28(18-23)25(29)22-8-7-21-16-24(10-9-20(21)15-22)30-14-4-6-19-5-3-12-26-17-19/h7-10,15-16,19,23,26H,3-6,11-14,17-18H2,1-2H3
InChIKeyJMEOXBOHKLCDDG-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone (CID 69490968) is [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is JMEOXBOHKLCDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-27(2)23-11-13-28(18-23)25(29)22-8-7-21-16-24(10-9-20(21)15-22)30-14-4-6-19-5-3-12-26-17-19/h7-10,15-16,19,23,26H,3-6,11-14,17-18H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 409.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 69490968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).