N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C27H36FN3O — CID 134032079

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCc2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C27H36FN3O/c28-25-13-11-24(12-14-25)21-31(26-9-5-2-6-10-26)27(32)22-30-19-17-29(18-20-30)16-15-23-7-3-1-4-8-23/h1,3-4,7-8,11-14,26H,2,5-6,9-10,15-22H2
InChIKeyQJIOLIGDSCVLEW-UHFFFAOYSA-N
MW437.60 g/mol
LogP4.35
Rot. Bonds8

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 134032079) has the molecular formula C27H36FN3O and a molecular weight of 437.60 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID134032079
Molecular FormulaC27H36FN3O
Molecular Weight437.60 g/mol
Exact Mass437.28
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCc2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C27H36FN3O/c28-25-13-11-24(12-14-25)21-31(26-9-5-2-6-10-26)27(32)22-30-19-17-29(18-20-30)16-15-23-7-3-1-4-8-23/h1,3-4,7-8,11-14,26H,2,5-6,9-10,15-22H2
InChIKeyQJIOLIGDSCVLEW-UHFFFAOYSA-N
XLogP4.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.60
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 99668408
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051350
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851901
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 55471178
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 134032079) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CCc2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is QJIOLIGDSCVLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O/c28-25-13-11-24(12-14-25)21-31(26-9-5-2-6-10-26)27(32)22-30-19-17-29(18-20-30)16-15-23-7-3-1-4-8-23/h1,3-4,7-8,11-14,26H,2,5-6,9-10,15-22H2.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 437.60 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134032079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).