[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone

C23H30N2O2 — CID 44578605

IUPAC[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1
InChIInChI=1S/C23H30N2O2/c1-17(2)24-13-9-21(10-14-24)27-22-8-7-18-15-20(6-5-19(18)16-22)23(26)25-11-3-4-12-25/h5-8,15-17,21H,3-4,9-14H2,1-2H3
InChIKeyISWXOJVHRGQMGX-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.33
Rot. Bonds4

About [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone

[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 44578605) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID44578605
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1
InChIInChI=1S/C23H30N2O2/c1-17(2)24-13-9-21(10-14-24)27-22-8-7-18-15-20(6-5-19(18)16-22)23(26)25-11-3-4-12-25/h5-8,15-17,21H,3-4,9-14H2,1-2H3
InChIKeyISWXOJVHRGQMGX-UHFFFAOYSA-N
XLogP4.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone (CID 44578605) is [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1.
What is the InChIKey of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ISWXOJVHRGQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)24-13-9-21(10-14-24)27-22-8-7-18-15-20(6-5-19(18)16-22)23(26)25-11-3-4-12-25/h5-8,15-17,21H,3-4,9-14H2,1-2H3.
What are the key properties of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone?
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 44578605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).