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

C24H33N3O2 — CID 69490917

IUPAC(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)CC1
InChIInChI=1S/C24H33N3O2/c1-26-11-13-27(14-12-26)24(28)22-7-6-21-17-23(9-8-20(21)16-22)29-15-3-5-19-4-2-10-25-18-19/h6-9,16-17,19,25H,2-5,10-15,18H2,1H3
InChIKeyDORNWPMSLMBETI-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.39
Rot. Bonds6

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

(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 69490917) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID69490917
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)CC1
InChIInChI=1S/C24H33N3O2/c1-26-11-13-27(14-12-26)24(28)22-7-6-21-17-23(9-8-20(21)16-22)29-15-3-5-19-4-2-10-25-18-19/h6-9,16-17,19,25H,2-5,10-15,18H2,1H3
InChIKeyDORNWPMSLMBETI-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.39
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

[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490968
(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303
N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
CID 69489101
3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67011523
[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71219283
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
(3,4-diaminophenyl)-[3-(3-piperidin-3-ylpropoxy)phenyl]methanone
CID 54434751
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone (CID 69490917) is (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone is CN1CCN(C(=O)c2ccc3cc(OCCCC4CCCNC4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is DORNWPMSLMBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26-11-13-27(14-12-26)24(28)22-7-6-21-17-23(9-8-20(21)16-22)29-15-3-5-19-4-2-10-25-18-19/h6-9,16-17,19,25H,2-5,10-15,18H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 69490917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).