N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide

C13H21N3O2S — CID 155273686

IUPACN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
SMILESCc1ccsc1[C@H](O)CNC(=O)C1CN(C)CCN1
InChIInChI=1S/C13H21N3O2S/c1-9-3-6-19-12(9)11(17)7-15-13(18)10-8-16(2)5-4-14-10/h3,6,10-11,14,17H,4-5,7-8H2,1-2H3,(H,15,18)/t10?,11-/m1/s1
InChIKeyZOXPWFWEBJXNAK-RRKGBCIJSA-N
MW283.40 g/mol
LogP0.11
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide (PubChem CID 155273686) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
PubChem CID155273686
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
SMILESCc1ccsc1[C@H](O)CNC(=O)C1CN(C)CCN1
InChIInChI=1S/C13H21N3O2S/c1-9-3-6-19-12(9)11(17)7-15-13(18)10-8-16(2)5-4-14-10/h3,6,10-11,14,17H,4-5,7-8H2,1-2H3,(H,15,18)/t10?,11-/m1/s1
InChIKeyZOXPWFWEBJXNAK-RRKGBCIJSA-N
XLogP0.11
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115178054
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 116911032
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685
3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238602
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide (CID 155273686) is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide is Cc1ccsc1[C@H](O)CNC(=O)C1CN(C)CCN1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide?
The InChIKey is ZOXPWFWEBJXNAK-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-3-6-19-12(9)11(17)7-15-13(18)10-8-16(2)5-4-14-10/h3,6,10-11,14,17H,4-5,7-8H2,1-2H3,(H,15,18)/t10?,11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide?
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 155273686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).