(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

C16H22N2O2 — CID 42330746

IUPAC(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(CC3CC3)C[C@@H]2C)c1
InChIInChI=1S/C16H22N2O2/c1-12-9-17(10-13-6-7-13)11-16(19)18(12)14-4-3-5-15(8-14)20-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyXJKHUPOTFUZECA-LBPRGKRZSA-N
MW274.36 g/mol
LogP2.14
Rot. Bonds4

About (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (PubChem CID 42330746) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
PubChem CID42330746
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(CC3CC3)C[C@@H]2C)c1
InChIInChI=1S/C16H22N2O2/c1-12-9-17(10-13-6-7-13)11-16(19)18(12)14-4-3-5-15(8-14)20-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyXJKHUPOTFUZECA-LBPRGKRZSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751
(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
(3Z,5E)-1-(cyclopropylmethyl)-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-4-one
CID 51129084
1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
CID 124755306
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 42429759
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075
(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
CID 150274574

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (CID 42330746) is (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is COc1cccc(N2C(=O)CN(CC3CC3)C[C@@H]2C)c1.
What is the InChIKey of (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The InChIKey is XJKHUPOTFUZECA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-9-17(10-13-6-7-13)11-16(19)18(12)14-4-3-5-15(8-14)20-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 42330746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).