(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

C25H34N2O2 — CID 11610910

IUPAC(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3
InChIKeyPXUAIMJAHKAYPP-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.97
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 11610910) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID11610910
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3
InChIKeyPXUAIMJAHKAYPP-UHFFFAOYSA-N
XLogP4.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone with MolForge

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Related Compounds

2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
A-349821 free base
CID 9954017
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
Gsk-835726
CID 76956202

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (CID 11610910) is (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is PXUAIMJAHKAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 11610910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).