N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide

C20H28FN3O2 — CID 87039063

IUPACN-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
SMILESCCC1CCC(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-15-7-9-16(10-8-15)22-20(26)24-13-11-23(12-14-24)19(25)17-5-3-4-6-18(17)21/h3-6,15-16H,2,7-14H2,1H3,(H,22,26)
InChIKeyGCUYPFDZSDXWHR-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.26
Rot. Bonds3

About N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide

N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide (PubChem CID 87039063) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
PubChem CID87039063
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
SMILESCCC1CCC(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-15-7-9-16(10-8-15)22-20(26)24-13-11-23(12-14-24)19(25)17-5-3-4-6-18(17)21/h3-6,15-16H,2,7-14H2,1H3,(H,22,26)
InChIKeyGCUYPFDZSDXWHR-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 112835191
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
[4-(cyclopropylmethylsulfonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 71864041
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
CID 48509510
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide (CID 87039063) is N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide is CCC1CCC(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is GCUYPFDZSDXWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-2-15-7-9-16(10-8-15)22-20(26)24-13-11-23(12-14-24)19(25)17-5-3-4-6-18(17)21/h3-6,15-16H,2,7-14H2,1H3,(H,22,26).
What are the key properties of N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide?
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 87039063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).