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

C29H37FN4O — CID 2810280

IUPACN-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H37FN4O/c30-24-13-14-28-27(20-24)23(21-31-28)8-7-15-32-16-18-33(19-17-32)22-29(35)34(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1,3-4,9-10,13-14,20-21,26,31H,2,5-8,11-12,15-19,22H2
InChIKeyQFHZTAFMZCTOBW-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.22
Rot. Bonds8

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

N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 2810280) has the molecular formula C29H37FN4O and a molecular weight of 476.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID2810280
Molecular FormulaC29H37FN4O
Molecular Weight476.64 g/mol
Exact Mass476.30
IUPAC NameN-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H37FN4O/c30-24-13-14-28-27(20-24)23(21-31-28)8-7-15-32-16-18-33(19-17-32)22-29(35)34(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1,3-4,9-10,13-14,20-21,26,31H,2,5-8,11-12,15-19,22H2
InChIKeyQFHZTAFMZCTOBW-UHFFFAOYSA-N
XLogP5.22
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide (CID 2810280) is N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is QFHZTAFMZCTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O/c30-24-13-14-28-27(20-24)23(21-31-28)8-7-15-32-16-18-33(19-17-32)22-29(35)34(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1,3-4,9-10,13-14,20-21,26,31H,2,5-8,11-12,15-19,22H2.
What are the key properties of N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide?
N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 476.64 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2810280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).