2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide

C28H37ClN4O2 — CID 25007091

IUPAC2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C28H37ClN4O2/c1-30(2)28(34)22-32-18-16-31(17-19-32)14-5-3-4-6-20-35-26-11-12-27-23(21-26)13-15-33(27)25-9-7-24(29)8-10-25/h7-13,15,21H,3-6,14,16-20,22H2,1-2H3
InChIKeyPMJMMVBSJWXWJW-UHFFFAOYSA-N
MW497.08 g/mol
LogP4.93
Rot. Bonds11

About 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 25007091) has the molecular formula C28H37ClN4O2 and a molecular weight of 497.08 g/mol. Its IUPAC name is 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID25007091
Molecular FormulaC28H37ClN4O2
Molecular Weight497.08 g/mol
Exact Mass496.26
IUPAC Name2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C28H37ClN4O2/c1-30(2)28(34)22-32-18-16-31(17-19-32)14-5-3-4-6-20-35-26-11-12-27-23(21-26)13-15-33(27)25-9-7-24(29)8-10-25/h7-13,15,21H,3-6,14,16-20,22H2,1-2H3
InChIKeyPMJMMVBSJWXWJW-UHFFFAOYSA-N
XLogP4.93
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.08
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 25007091) is 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PMJMMVBSJWXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O2/c1-30(2)28(34)22-32-18-16-31(17-19-32)14-5-3-4-6-20-35-26-11-12-27-23(21-26)13-15-33(27)25-9-7-24(29)8-10-25/h7-13,15,21H,3-6,14,16-20,22H2,1-2H3.
What are the key properties of 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 497.08 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 25007091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).