N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide

C19H28FN3O — CID 120756349

IUPACN-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCNCC1c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C19H28FN3O/c1-22(17-8-3-2-4-9-17)19(24)14-23-11-10-21-13-18(23)15-6-5-7-16(20)12-15/h5-7,12,17-18,21H,2-4,8-11,13-14H2,1H3
InChIKeyZPRHOWLEAVQWKE-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.56
Rot. Bonds4

About N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 120756349) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
PubChem CID120756349
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCNCC1c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C19H28FN3O/c1-22(17-8-3-2-4-9-17)19(24)14-23-11-10-21-13-18(23)15-6-5-7-16(20)12-15/h5-7,12,17-18,21H,2-4,8-11,13-14H2,1H3
InChIKeyZPRHOWLEAVQWKE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756533
N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756417
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 120756225
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide (CID 120756349) is N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCNCC1c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is ZPRHOWLEAVQWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-22(17-8-3-2-4-9-17)19(24)14-23-11-10-21-13-18(23)15-6-5-7-16(20)12-15/h5-7,12,17-18,21H,2-4,8-11,13-14H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 333.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 120756349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).