N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide

C21H34FN3O — CID 144750399

IUPACN-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide
SMILESCC1=CCC(C)C(N2CCN(CC(=O)NC3CCCCCC3)CC2)=C1F
InChIInChI=1S/C21H34FN3O/c1-16-9-10-17(2)21(20(16)22)25-13-11-24(12-14-25)15-19(26)23-18-7-5-3-4-6-8-18/h9,17-18H,3-8,10-15H2,1-2H3,(H,23,26)
InChIKeyWYJXPZABHQHZJA-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.61
Rot. Bonds4

About N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide

N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide (PubChem CID 144750399) has the molecular formula C21H34FN3O and a molecular weight of 363.52 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide
PubChem CID144750399
Molecular FormulaC21H34FN3O
Molecular Weight363.52 g/mol
Exact Mass363.27
IUPAC NameN-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide
SMILESCC1=CCC(C)C(N2CCN(CC(=O)NC3CCCCCC3)CC2)=C1F
InChIInChI=1S/C21H34FN3O/c1-16-9-10-17(2)21(20(16)22)25-13-11-24(12-14-25)15-19(26)23-18-7-5-3-4-6-8-18/h9,17-18H,3-8,10-15H2,1-2H3,(H,23,26)
InChIKeyWYJXPZABHQHZJA-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide (CID 144750399) is N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide is CC1=CCC(C)C(N2CCN(CC(=O)NC3CCCCCC3)CC2)=C1F.
What is the InChIKey of N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide?
The InChIKey is WYJXPZABHQHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN3O/c1-16-9-10-17(2)21(20(16)22)25-13-11-24(12-14-25)15-19(26)23-18-7-5-3-4-6-8-18/h9,17-18H,3-8,10-15H2,1-2H3,(H,23,26).
What are the key properties of N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide?
N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide has a molecular weight of 363.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(2-fluoro-3,6-dimethylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 144750399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).