1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone

C19H28FN3O — CID 112770227

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1NCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O/c1-15-4-2-3-5-18(15)21-14-19(24)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h6-9,15,18,21H,2-5,10-14H2,1H3
InChIKeyCUKSCYJFXAVADM-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.64
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone (PubChem CID 112770227) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
PubChem CID112770227
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1NCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O/c1-15-4-2-3-5-18(15)21-14-19(24)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h6-9,15,18,21H,2-5,10-14H2,1H3
InChIKeyCUKSCYJFXAVADM-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 11932212
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone (CID 112770227) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone is CC1CCCCC1NCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone?
The InChIKey is CUKSCYJFXAVADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-15-4-2-3-5-18(15)21-14-19(24)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h6-9,15,18,21H,2-5,10-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone has a molecular weight of 333.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 112770227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).