(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C19H28N2O2 — CID 122589529

IUPAC(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2C(=O)CNC[C@@H]2CC2CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-5-8-16(11-18)14-21-17(12-20-13-19(21)22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17,20H,2-4,6-7,10,12-14H2,1H3/t17-/m0/s1
InChIKeyDXMROQYVLVSDOY-KRWDZBQOSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds5

About (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 122589529) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID122589529
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2C(=O)CNC[C@@H]2CC2CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-5-8-16(11-18)14-21-17(12-20-13-19(21)22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17,20H,2-4,6-7,10,12-14H2,1H3/t17-/m0/s1
InChIKeyDXMROQYVLVSDOY-KRWDZBQOSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 122600924
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
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1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
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CID 10924467
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495039
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
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CID 55138843
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 122589529) is (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is COc1cccc(CN2C(=O)CNC[C@@H]2CC2CCCCC2)c1.
What is the InChIKey of (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is DXMROQYVLVSDOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-9-5-8-16(11-18)14-21-17(12-20-13-19(21)22)10-15-6-3-2-4-7-15/h5,8-9,11,15,17,20H,2-4,6-7,10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 122589529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).