3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide

C29H39FN4O — CID 175406463

IUPAC3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
SMILESCCC(CC)N(C(=O)CCN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C29H39FN4O/c1-3-25(4-2)34(26-10-6-5-7-11-26)29(35)14-16-33-19-17-32(18-20-33)15-8-9-23-22-31-28-13-12-24(30)21-27(23)28/h5-7,10-13,21-22,25,31H,3-4,8-9,14-20H2,1-2H3
InChIKeyPEGRPOZFZBAUKM-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.47
Rot. Bonds11

About 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide

3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide (PubChem CID 175406463) has the molecular formula C29H39FN4O and a molecular weight of 478.66 g/mol. Its IUPAC name is 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
PubChem CID175406463
Molecular FormulaC29H39FN4O
Molecular Weight478.66 g/mol
Exact Mass478.31
IUPAC Name3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
SMILESCCC(CC)N(C(=O)CCN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C29H39FN4O/c1-3-25(4-2)34(26-10-6-5-7-11-26)29(35)14-16-33-19-17-32(18-20-33)15-8-9-23-22-31-28-13-12-24(30)21-27(23)28/h5-7,10-13,21-22,25,31H,3-4,8-9,14-20H2,1-2H3
InChIKeyPEGRPOZFZBAUKM-UHFFFAOYSA-N
XLogP5.47
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
CID 175405742
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
CID 175405707
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
CID 175406057
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-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
CID 175406462
2-(5-fluoro-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 110700278
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide?
The IUPAC name of 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide (CID 175406463) is 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide.
What is the SMILES notation for 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide?
The canonical SMILES for 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide is CCC(CC)N(C(=O)CCN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1.
What is the InChIKey of 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide?
The InChIKey is PEGRPOZFZBAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN4O/c1-3-25(4-2)34(26-10-6-5-7-11-26)29(35)14-16-33-19-17-32(18-20-33)15-8-9-23-22-31-28-13-12-24(30)21-27(23)28/h5-7,10-13,21-22,25,31H,3-4,8-9,14-20H2,1-2H3.
What are the key properties of 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide?
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide has a molecular weight of 478.66 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide is sourced from PubChem (CID 175406463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).