1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine

C24H31N3O — CID 70193466

IUPAC1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
SMILESCC(C)c1ccc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1C
InChIInChI=1S/C24H31N3O/c1-18(2)23-11-9-20(26(23)4)17-28-21-10-8-19-6-5-7-24(22(19)16-21)27-14-12-25(3)13-15-27/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyVBVACCXRRVHJJJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.63
Rot. Bonds5

About 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine (PubChem CID 70193466) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
PubChem CID70193466
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
SMILESCC(C)c1ccc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1C
InChIInChI=1S/C24H31N3O/c1-18(2)23-11-9-20(26(23)4)17-28-21-10-8-19-6-5-7-24(22(19)16-21)27-14-12-25(3)13-15-27/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyVBVACCXRRVHJJJ-UHFFFAOYSA-N
XLogP4.63
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine (CID 70193466) is 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine is CC(C)c1ccc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1C.
What is the InChIKey of 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine?
The InChIKey is VBVACCXRRVHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-18(2)23-11-9-20(26(23)4)17-28-21-10-8-19-6-5-7-24(22(19)16-21)27-14-12-25(3)13-15-27/h5-11,16,18H,12-15,17H2,1-4H3.
What are the key properties of 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine has a molecular weight of 377.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 70193466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).