2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide

C28H37ClN4O2 — CID 25005599

IUPAC2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C28H37ClN4O2/c1-22(2)30-28(34)21-32-17-15-31(16-18-32)13-4-3-5-19-35-26-10-11-27-23(20-26)12-14-33(27)25-8-6-24(29)7-9-25/h6-12,14,20,22H,3-5,13,15-19,21H2,1-2H3,(H,30,34)
InChIKeyRHCOCCRHLJFYTG-UHFFFAOYSA-N
MW497.08 g/mol
LogP4.98
Rot. Bonds11

About 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 25005599) has the molecular formula C28H37ClN4O2 and a molecular weight of 497.08 g/mol. Its IUPAC name is 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID25005599
Molecular FormulaC28H37ClN4O2
Molecular Weight497.08 g/mol
Exact Mass496.26
IUPAC Name2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C28H37ClN4O2/c1-22(2)30-28(34)21-32-17-15-31(16-18-32)13-4-3-5-19-35-26-10-11-27-23(20-26)12-14-33(27)25-8-6-24(29)7-9-25/h6-12,14,20,22H,3-5,13,15-19,21H2,1-2H3,(H,30,34)
InChIKeyRHCOCCRHLJFYTG-UHFFFAOYSA-N
XLogP4.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.08
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25007091
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
CID 24995257
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25006326
N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide
CID 25064207
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 25065250
2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064630
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 25005599) is 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is RHCOCCRHLJFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O2/c1-22(2)30-28(34)21-32-17-15-31(16-18-32)13-4-3-5-19-35-26-10-11-27-23(20-26)12-14-33(27)25-8-6-24(29)7-9-25/h6-12,14,20,22H,3-5,13,15-19,21H2,1-2H3,(H,30,34).
What are the key properties of 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 497.08 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25005599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).