(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

C24H32N2O2 — CID 11619374

IUPAC(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4C)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-17(2)25-13-10-22(11-14-25)28-23-9-8-19-15-21(7-6-20(19)16-23)24(27)26-12-4-5-18(26)3/h6-9,15-18,22H,4-5,10-14H2,1-3H3
InChIKeyULNNAHSDFBDKQL-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.72
Rot. Bonds4

About (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (PubChem CID 11619374) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
PubChem CID11619374
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4C)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-17(2)25-13-10-22(11-14-25)28-23-9-8-19-15-21(7-6-20(19)16-23)24(27)26-12-4-5-18(26)3/h6-9,15-18,22H,4-5,10-14H2,1-3H3
InChIKeyULNNAHSDFBDKQL-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (CID 11619374) is (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4C)ccc3c2)CC1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is ULNNAHSDFBDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)25-13-10-22(11-14-25)28-23-9-8-19-15-21(7-6-20(19)16-23)24(27)26-12-4-5-18(26)3/h6-9,15-18,22H,4-5,10-14H2,1-3H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
(2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 380.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 11619374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).