1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one

C18H27N3O2 — CID 124755697

IUPAC1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C[C@H]3CCCN3C)CC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-19-8-4-6-16(19)13-20-9-10-21(18(22)14-20)12-15-5-3-7-17(11-15)23-2/h3,5,7,11,16H,4,6,8-10,12-14H2,1-2H3/t16-/m1/s1
InChIKeyQZADCMFKKRLDNP-MRXNPFEDSA-N
MW317.43 g/mol
LogP1.43
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one

1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one (PubChem CID 124755697) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
PubChem CID124755697
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C[C@H]3CCCN3C)CC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-19-8-4-6-16(19)13-20-9-10-21(18(22)14-20)12-15-5-3-7-17(11-15)23-2/h3,5,7,11,16H,4,6,8-10,12-14H2,1-2H3/t16-/m1/s1
InChIKeyQZADCMFKKRLDNP-MRXNPFEDSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71687072
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56896768
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
1-[(3-methoxyphenyl)methyl]-4-[(2,4,6-trifluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733208
(3S,9R)-11-[(3-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126461245
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one (CID 124755697) is 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one is COc1cccc(CN2CCN(C[C@H]3CCCN3C)CC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one?
The InChIKey is QZADCMFKKRLDNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-8-4-6-16(19)13-20-9-10-21(18(22)14-20)12-15-5-3-7-17(11-15)23-2/h3,5,7,11,16H,4,6,8-10,12-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one?
1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 124755697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).