[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

C22H23N3OS — CID 59382198

IUPAC[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(-c4ccccn4)s3)CC2C)c1
InChIInChI=1S/C22H23N3OS/c1-16-6-5-7-18(14-16)25-13-12-24(15-17(25)2)22(26)21-10-9-20(27-21)19-8-3-4-11-23-19/h3-11,14,17H,12-13,15H2,1-2H3
InChIKeyCMEORYRBRPNJBI-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.47
Rot. Bonds3

About [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 59382198) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID59382198
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(-c4ccccn4)s3)CC2C)c1
InChIInChI=1S/C22H23N3OS/c1-16-6-5-7-18(14-16)25-13-12-24(15-17(25)2)22(26)21-10-9-20(27-21)19-8-3-4-11-23-19/h3-11,14,17H,12-13,15H2,1-2H3
InChIKeyCMEORYRBRPNJBI-UHFFFAOYSA-N
XLogP4.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 92875746
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
3-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95075781
3-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53094508
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
3-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2470279
[2-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 23736025
N-[3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53091459

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone (CID 59382198) is [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone is Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccccn4)s3)CC2C)c1.
What is the InChIKey of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is CMEORYRBRPNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-6-5-7-18(14-16)25-13-12-24(15-17(25)2)22(26)21-10-9-20(27-21)19-8-3-4-11-23-19/h3-11,14,17H,12-13,15H2,1-2H3.
What are the key properties of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 59382198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).