[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'}

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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).