2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide

C21H32FN3O — CID 86825537

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(CC2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H32FN3O/c1-17(19-7-9-20(22)10-8-19)23-21(26)16-25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-16H2,1H3,(H,23,26)
InChIKeyJZJPVBFPMCUXKN-UHFFFAOYSA-N
MW361.50 g/mol
LogP3.20
Rot. Bonds6

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 86825537) has the molecular formula C21H32FN3O and a molecular weight of 361.50 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID86825537
Molecular FormulaC21H32FN3O
Molecular Weight361.50 g/mol
Exact Mass361.25
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(CC2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H32FN3O/c1-17(19-7-9-20(22)10-8-19)23-21(26)16-25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-16H2,1H3,(H,23,26)
InChIKeyJZJPVBFPMCUXKN-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55865936
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
N-[bis(4-methoxyphenyl)methyl]-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 55986995
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166772617
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 86825537) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN1CCN(CC2CCCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JZJPVBFPMCUXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O/c1-17(19-7-9-20(22)10-8-19)23-21(26)16-25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 361.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 86825537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).