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

C23H30N2O2 — CID 11501506

IUPAC[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1
InChIInChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2
InChIKeyKBLLVDUPDMDMON-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.33
Rot. Bonds6

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

[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 11501506) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID11501506
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1
InChIInChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2
InChIKeyKBLLVDUPDMDMON-UHFFFAOYSA-N
XLogP4.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
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
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275443
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 44275508
[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]methanone
CID 44275553

Frequently Asked Questions

What is the IUPAC name of [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone (CID 11501506) is [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1.
What is the InChIKey of [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KBLLVDUPDMDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2.
What are the key properties of [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone?
[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11501506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).