1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine

C24H31N3O — CID 22115744

IUPAC1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
SMILESCC(C)c1ccc(C(C)Oc2ccc3cccc(N4CCN(C)CC4)c3c2)[nH]1
InChIInChI=1S/C24H31N3O/c1-17(2)22-10-11-23(25-22)18(3)28-20-9-8-19-6-5-7-24(21(19)16-20)27-14-12-26(4)13-15-27/h5-11,16-18,25H,12-15H2,1-4H3
InChIKeyWJTYTBACIKKCCQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.18
Rot. Bonds5

About 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine (PubChem CID 22115744) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
PubChem CID22115744
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
SMILESCC(C)c1ccc(C(C)Oc2ccc3cccc(N4CCN(C)CC4)c3c2)[nH]1
InChIInChI=1S/C24H31N3O/c1-17(2)22-10-11-23(25-22)18(3)28-20-9-8-19-6-5-7-24(21(19)16-20)27-14-12-26(4)13-15-27/h5-11,16-18,25H,12-15H2,1-4H3
InChIKeyWJTYTBACIKKCCQ-UHFFFAOYSA-N
XLogP5.18
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine (CID 22115744) is 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine is CC(C)c1ccc(C(C)Oc2ccc3cccc(N4CCN(C)CC4)c3c2)[nH]1.
What is the InChIKey of 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine?
The InChIKey is WJTYTBACIKKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-17(2)22-10-11-23(25-22)18(3)28-20-9-8-19-6-5-7-24(21(19)16-20)27-14-12-26(4)13-15-27/h5-11,16-18,25H,12-15H2,1-4H3.
What are the key properties of 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine has a molecular weight of 377.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 22115744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).