N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

C21H27FN4O2 — CID 36876492

IUPACN-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C21H27FN4O2/c1-24(21(16-23)9-3-2-4-10-21)19(27)15-25-11-13-26(14-12-25)20(28)17-5-7-18(22)8-6-17/h5-8H,2-4,9-15H2,1H3
InChIKeyUJWTWPKAOWWBSO-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.27
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 36876492) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID36876492
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C21H27FN4O2/c1-24(21(16-23)9-3-2-4-10-21)19(27)15-25-11-13-26(14-12-25)20(28)17-5-7-18(22)8-6-17/h5-8H,2-4,9-15H2,1H3
InChIKeyUJWTWPKAOWWBSO-UHFFFAOYSA-N
XLogP2.27
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
CID 82130674
2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705306
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 9021763
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51312021
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 38063405
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 8997613
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
CID 47002075
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 36876492) is N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is UJWTWPKAOWWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-24(21(16-23)9-3-2-4-10-21)19(27)15-25-11-13-26(14-12-25)20(28)17-5-7-18(22)8-6-17/h5-8H,2-4,9-15H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 386.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 36876492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).