4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide

C19H28FN3O — CID 68812324

IUPAC4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-3-1-2-4-18(17)23-13-11-22(12-14-23)10-9-15-5-7-16(8-6-15)19(21)24/h1-4,15-16H,5-14H2,(H2,21,24)
InChIKeyAJWBSOQSFIFGFO-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.63
Rot. Bonds5

About 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 68812324) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID68812324
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-3-1-2-4-18(17)23-13-11-22(12-14-23)10-9-15-5-7-16(8-6-15)19(21)24/h1-4,15-16H,5-14H2,(H2,21,24)
InChIKeyAJWBSOQSFIFGFO-UHFFFAOYSA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
CID 24781798
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-7-methoxyheptan-4-one
CID 118486319
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 91366186
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 68812324) is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide is NC(=O)C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is AJWBSOQSFIFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-17-3-1-2-4-18(17)23-13-11-22(12-14-23)10-9-15-5-7-16(8-6-15)19(21)24/h1-4,15-16H,5-14H2,(H2,21,24).
What are the key properties of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 68812324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).