(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide

C20H30FN3O — CID 8703916

IUPAC(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-15-5-3-4-6-19(15)22-20(25)16(2)23-11-13-24(14-12-23)18-9-7-17(21)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,25)/t15-,16-,19+/m1/s1
InChIKeyKLJXIKWODQJYDY-MDZRGWNJSA-N
MW347.48 g/mol
LogP3.03
Rot. Bonds4

About (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide (PubChem CID 8703916) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
PubChem CID8703916
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-15-5-3-4-6-19(15)22-20(25)16(2)23-11-13-24(14-12-23)18-9-7-17(21)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,25)/t15-,16-,19+/m1/s1
InChIKeyKLJXIKWODQJYDY-MDZRGWNJSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
CID 112770227
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8749274
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide (CID 8703916) is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide is C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is KLJXIKWODQJYDY-MDZRGWNJSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-15-5-3-4-6-19(15)22-20(25)16(2)23-11-13-24(14-12-23)18-9-7-17(21)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,25)/t15-,16-,19+/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 347.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 8703916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).