[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C19H24N2O2S — CID 31559920

IUPAC[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-14-4-6-17(23-3)16(12-14)13-20-8-10-21(11-9-20)19(22)18-7-5-15(2)24-18/h4-7,12H,8-11,13H2,1-3H3
InChIKeyDNSLAPCEADCPGK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds4

About [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 31559920) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID31559920
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-14-4-6-17(23-3)16(12-14)13-20-8-10-21(11-9-20)19(22)18-7-5-15(2)24-18/h4-7,12H,8-11,13H2,1-3H3
InChIKeyDNSLAPCEADCPGK-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 24549487
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(5-methylthiophen-2-yl)methanone
CID 56819339
N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 31718704
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 31717507
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 31559483
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010
2-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 17477642
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39458707

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 31559920) is [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C)s2)CC1.
What is the InChIKey of [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is DNSLAPCEADCPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-4-6-17(23-3)16(12-14)13-20-8-10-21(11-9-20)19(22)18-7-5-15(2)24-18/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 31559920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).