2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide

C28H37ClN4O — CID 175405742

IUPAC2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
SMILESCCC(CC)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1)c1ccccc1
InChIInChI=1S/C28H37ClN4O/c1-3-24(4-2)33(25-10-6-5-7-11-25)28(34)21-32-17-15-31(16-18-32)14-8-9-22-20-30-27-13-12-23(29)19-26(22)27/h5-7,10-13,19-20,24,30H,3-4,8-9,14-18,21H2,1-2H3
InChIKeyHZSNLLBDYHRUFX-UHFFFAOYSA-N
MW481.08 g/mol
LogP5.59
Rot. Bonds10

About 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide

2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide (PubChem CID 175405742) has the molecular formula C28H37ClN4O and a molecular weight of 481.08 g/mol. Its IUPAC name is 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
PubChem CID175405742
Molecular FormulaC28H37ClN4O
Molecular Weight481.08 g/mol
Exact Mass480.27
IUPAC Name2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
SMILESCCC(CC)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1)c1ccccc1
InChIInChI=1S/C28H37ClN4O/c1-3-24(4-2)33(25-10-6-5-7-11-25)28(34)21-32-17-15-31(16-18-32)14-8-9-22-20-30-27-13-12-23(29)19-26(22)27/h5-7,10-13,19-20,24,30H,3-4,8-9,14-18,21H2,1-2H3
InChIKeyHZSNLLBDYHRUFX-UHFFFAOYSA-N
XLogP5.59
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.08
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
CID 175405707
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
CID 175406057
5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
CID 72547333
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-chloro-1H-indole
CID 18330282
N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
CID 175406462
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
3-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 92650578
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
CID 162675335
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide (CID 175405742) is 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide is CCC(CC)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide?
The InChIKey is HZSNLLBDYHRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O/c1-3-24(4-2)33(25-10-6-5-7-11-25)28(34)21-32-17-15-31(16-18-32)14-8-9-22-20-30-27-13-12-23(29)19-26(22)27/h5-7,10-13,19-20,24,30H,3-4,8-9,14-18,21H2,1-2H3.
What are the key properties of 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide?
2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide has a molecular weight of 481.08 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide is sourced from PubChem (CID 175405742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).