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

C20H25FN4O2 — CID 30704546

IUPACN-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)CCCCC1
InChIInChI=1S/C20H25FN4O2/c21-17-7-3-2-6-16(17)19(27)25-12-10-24(11-13-25)14-18(26)23-20(15-22)8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-14H2,(H,23,26)
InChIKeyUHIKGFYLZXHPII-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.93
Rot. Bonds4

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

N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 30704546) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID30704546
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)CCCCC1
InChIInChI=1S/C20H25FN4O2/c21-17-7-3-2-6-16(17)19(27)25-12-10-24(11-13-25)14-18(26)23-20(15-22)8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-14H2,(H,23,26)
InChIKeyUHIKGFYLZXHPII-UHFFFAOYSA-N
XLogP1.93
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071571
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 35803587
N-(1-cyanocycloheptyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 30666896
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 9258881
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543283
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 30704546) is N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is UHIKGFYLZXHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-7-3-2-6-16(17)19(27)25-12-10-24(11-13-25)14-18(26)23-20(15-22)8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-14H2,(H,23,26).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30704546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).