4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide

C16H25N3O3S — CID 146132273

IUPAC4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC(C)CS(C)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-13(12-23(3)21)17-16(20)19-10-8-18(9-11-19)14-6-4-5-7-15(14)22-2/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyITFOMHCCQLGKMG-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.29
Rot. Bonds5

About 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 146132273) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
PubChem CID146132273
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC(C)CS(C)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-13(12-23(3)21)17-16(20)19-10-8-18(9-11-19)14-6-4-5-7-15(14)22-2/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyITFOMHCCQLGKMG-UHFFFAOYSA-N
XLogP1.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
N-[1-(2,4-difluorophenyl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55472250
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109131658
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide (CID 146132273) is 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NC(C)CS(C)=O)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is ITFOMHCCQLGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(12-23(3)21)17-16(20)19-10-8-18(9-11-19)14-6-4-5-7-15(14)22-2/h4-7,13H,8-12H2,1-3H3,(H,17,20).
What are the key properties of 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 146132273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).