N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide

C16H20N4O2S — CID 124984347

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)13-3-8-23-10-13)11-16(22)4-2-7-20(12-16)14-9-17-5-6-18-14/h3,5-6,8-10,22H,2,4,7,11-12H2,1H3/t16-/m1/s1
InChIKeyNKBXCCACQAQSSD-MRXNPFEDSA-N
MW332.43 g/mol
LogP1.64
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide (PubChem CID 124984347) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
PubChem CID124984347
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)13-3-8-23-10-13)11-16(22)4-2-7-20(12-16)14-9-17-5-6-18-14/h3,5-6,8-10,22H,2,4,7,11-12H2,1H3/t16-/m1/s1
InChIKeyNKBXCCACQAQSSD-MRXNPFEDSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 124973541
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 124960766
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110123556
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
3-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 125014770

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide (CID 124984347) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide is CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccsc1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is NKBXCCACQAQSSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(15(21)13-3-8-23-10-13)11-16(22)4-2-7-20(12-16)14-9-17-5-6-18-14/h3,5-6,8-10,22H,2,4,7,11-12H2,1H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 124984347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).