N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine

C20H28N4O3S — CID 133469107

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC(Nc3nccnc3OC(C)C)CC2)cc1
InChIInChI=1S/C20H28N4O3S/c1-4-28(25,26)18-7-5-17(6-8-18)24-13-9-16(10-14-24)23-19-20(27-15(2)3)22-12-11-21-19/h5-8,11-12,15-16H,4,9-10,13-14H2,1-3H3,(H,21,23)
InChIKeyFCGMQAVYEPFNKV-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.14
Rot. Bonds7

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133469107) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine
PubChem CID133469107
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC(Nc3nccnc3OC(C)C)CC2)cc1
InChIInChI=1S/C20H28N4O3S/c1-4-28(25,26)18-7-5-17(6-8-18)24-13-9-16(10-14-24)23-19-20(27-15(2)3)22-12-11-21-19/h5-8,11-12,15-16H,4,9-10,13-14H2,1-3H3,(H,21,23)
InChIKeyFCGMQAVYEPFNKV-UHFFFAOYSA-N
XLogP3.14
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
CID 133468910
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154836519
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 87053008
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
CID 133405160
1-(4-phenylpiperazin-1-yl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanone
CID 133469022
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
CID 43315540
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine (CID 133469107) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine is CCS(=O)(=O)c1ccc(N2CCC(Nc3nccnc3OC(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is FCGMQAVYEPFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-4-28(25,26)18-7-5-17(6-8-18)24-13-9-16(10-14-24)23-19-20(27-15(2)3)22-12-11-21-19/h5-8,11-12,15-16H,4,9-10,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 404.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133469107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).