[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C19H23N3O2 — CID 124992452

IUPAC[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1C
InChIInChI=1S/C19H23N3O2/c1-14-8-9-15(12-20-14)19(23)22-11-10-21(2)17(13-22)16-6-4-5-7-18(16)24-3/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyPQQKKMAAZPHDPP-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.53
Rot. Bonds3

About [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124992452) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID124992452
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1C
InChIInChI=1S/C19H23N3O2/c1-14-8-9-15(12-20-14)19(23)22-11-10-21(2)17(13-22)16-6-4-5-7-18(16)24-3/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyPQQKKMAAZPHDPP-KRWDZBQOSA-N
XLogP2.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
(3S,4R)-4-(2-methoxyphenyl)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70727288
[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124973894
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 125007704
1-(3,4-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110631946
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 124992452) is [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1C.
What is the InChIKey of [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is PQQKKMAAZPHDPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-8-9-15(12-20-14)19(23)22-11-10-21(2)17(13-22)16-6-4-5-7-18(16)24-3/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124992452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).