(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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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).