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

C28H39N3O2 — CID 69067801

IUPAC(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc3c2)CC1
InChIInChI=1S/C28H39N3O2/c1-21(2)29-13-11-26(12-14-29)33-27-10-9-22-19-24(8-7-23(22)20-27)28(32)31-17-15-30(16-18-31)25-5-3-4-6-25/h7-10,19-21,25-26H,3-6,11-18H2,1-2H3
InChIKeyASJLEPDWCUJZHP-UHFFFAOYSA-N
MW449.64 g/mol
LogP4.79
Rot. Bonds5

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

(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (PubChem CID 69067801) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
PubChem CID69067801
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc3c2)CC1
InChIInChI=1S/C28H39N3O2/c1-21(2)29-13-11-26(12-14-29)33-27-10-9-22-19-24(8-7-23(22)20-27)28(32)31-17-15-30(16-18-31)25-5-3-4-6-25/h7-10,19-21,25-26H,3-6,11-18H2,1-2H3
InChIKeyASJLEPDWCUJZHP-UHFFFAOYSA-N
XLogP4.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69071505
[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 44540674
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-1-yl]-pyrrolidin-1-ylmethanone
CID 44578678
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
CID 11718271
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (CID 69067801) is (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc3c2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is ASJLEPDWCUJZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-21(2)29-13-11-26(12-14-29)33-27-10-9-22-19-24(8-7-23(22)20-27)28(32)31-17-15-30(16-18-31)25-5-3-4-6-25/h7-10,19-21,25-26H,3-6,11-18H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 449.64 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 69067801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).