N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide

C29H40FN3O2 — CID 24900672

IUPACN-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
SMILESCOc1ccccc1N1CCN(CC[C@H](c2ccccc2F)[C@@H](NC(C)=O)C2CCCCC2)CC1
InChIInChI=1S/C29H40FN3O2/c1-22(34)31-29(23-10-4-3-5-11-23)25(24-12-6-7-13-26(24)30)16-17-32-18-20-33(21-19-32)27-14-8-9-15-28(27)35-2/h6-9,12-15,23,25,29H,3-5,10-11,16-21H2,1-2H3,(H,31,34)/t25-,29+/m1/s1
InChIKeyHDBWCJAZMYGVOK-IRPSRAIASA-N
MW481.66 g/mol
LogP5.22
Rot. Bonds9

About N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide

N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide (PubChem CID 24900672) has the molecular formula C29H40FN3O2 and a molecular weight of 481.66 g/mol. Its IUPAC name is N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
PubChem CID24900672
Molecular FormulaC29H40FN3O2
Molecular Weight481.66 g/mol
Exact Mass481.31
IUPAC NameN-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
SMILESCOc1ccccc1N1CCN(CC[C@H](c2ccccc2F)[C@@H](NC(C)=O)C2CCCCC2)CC1
InChIInChI=1S/C29H40FN3O2/c1-22(34)31-29(23-10-4-3-5-11-23)25(24-12-6-7-13-26(24)30)16-17-32-18-20-33(21-19-32)27-14-8-9-15-28(27)35-2/h6-9,12-15,23,25,29H,3-5,10-11,16-21H2,1-2H3,(H,31,34)/t25-,29+/m1/s1
InChIKeyHDBWCJAZMYGVOK-IRPSRAIASA-N
XLogP5.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
CID 24900859
1-cyclohexyl-2-(2-fluorophenyl)-N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 24901268
O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate
CID 10029443
1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 69453403
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
1-[(3R)-3-(2-fluorophenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
CID 93000836
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 10344578
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 18726870
1-(4-cyclohexyl-3-phenyl-4-prop-2-enoxybutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 10457886

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The IUPAC name of N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide (CID 24900672) is N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The canonical SMILES for N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide is COc1ccccc1N1CCN(CC[C@H](c2ccccc2F)[C@@H](NC(C)=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
The InChIKey is HDBWCJAZMYGVOK-IRPSRAIASA-N. The full InChI is InChI=1S/C29H40FN3O2/c1-22(34)31-29(23-10-4-3-5-11-23)25(24-12-6-7-13-26(24)30)16-17-32-18-20-33(21-19-32)27-14-8-9-15-28(27)35-2/h6-9,12-15,23,25,29H,3-5,10-11,16-21H2,1-2H3,(H,31,34)/t25-,29+/m1/s1.
What are the key properties of N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide?
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide has a molecular weight of 481.66 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide is sourced from PubChem (CID 24900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).