(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide

C18H25N5O3S — CID 125021863

IUPAC(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide
SMILESCc1ccc(CCNC(=O)[C@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1
InChIInChI=1S/C18H25N5O3S/c1-12-4-5-14(27-12)6-7-19-18(25)16-11-23(9-8-22(16)3)17(24)10-15-13(2)20-26-21-15/h4-5,16H,6-11H2,1-3H3,(H,19,25)/t16-/m1/s1
InChIKeyYMVDOUHPHJDUEH-MRXNPFEDSA-N
MW391.50 g/mol
LogP0.79
Rot. Bonds6

About (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide

(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide (PubChem CID 125021863) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide
PubChem CID125021863
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide
SMILESCc1ccc(CCNC(=O)[C@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1
InChIInChI=1S/C18H25N5O3S/c1-12-4-5-14(27-12)6-7-19-18(25)16-11-23(9-8-22(16)3)17(24)10-15-13(2)20-26-21-15/h4-5,16H,6-11H2,1-3H3,(H,19,25)/t16-/m1/s1
InChIKeyYMVDOUHPHJDUEH-MRXNPFEDSA-N
XLogP0.79
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139
4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazine-2-carboxamide
CID 110085668
(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide
CID 124949483
1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110258499
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 91764415
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 42095240
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125008288
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride
CID 154910718
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide (CID 125021863) is (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide is Cc1ccc(CCNC(=O)[C@H]2CN(C(=O)Cc3nonc3C)CCN2C)s1.
What is the InChIKey of (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is YMVDOUHPHJDUEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12-4-5-14(27-12)6-7-19-18(25)16-11-23(9-8-22(16)3)17(24)10-15-13(2)20-26-21-15/h4-5,16H,6-11H2,1-3H3,(H,19,25)/t16-/m1/s1.
What are the key properties of (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide?
(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 125021863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).