N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide

C24H34FN3O2 — CID 3646176

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H34FN3O2/c1-19(17-23(29)26-12-11-20-7-3-2-4-8-20)18-24(30)28-15-13-27(14-16-28)22-10-6-5-9-21(22)25/h5-7,9-10,19H,2-4,8,11-18H2,1H3,(H,26,29)
InChIKeyDCOPISVYCJUIOI-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide (PubChem CID 3646176) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
PubChem CID3646176
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H34FN3O2/c1-19(17-23(29)26-12-11-20-7-3-2-4-8-20)18-24(30)28-15-13-27(14-16-28)22-10-6-5-9-21(22)25/h5-7,9-10,19H,2-4,8,11-18H2,1H3,(H,26,29)
InChIKeyDCOPISVYCJUIOI-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide
CID 4303198
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109014679
(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
CID 7317240
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
CID 4637829
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
CID 25246872
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
1-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182342
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide (CID 3646176) is N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide is CC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The InChIKey is DCOPISVYCJUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-19(17-23(29)26-12-11-20-7-3-2-4-8-20)18-24(30)28-15-13-27(14-16-28)22-10-6-5-9-21(22)25/h5-7,9-10,19H,2-4,8,11-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide has a molecular weight of 415.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 3646176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).