N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide

C24H26N4O2S — CID 25290635

IUPACN-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C24H26N4O2S/c1-27(23(29)20-9-14-31-17-20)22(15-18-5-3-2-4-6-18)19-7-12-28(13-8-19)24(30)21-16-25-10-11-26-21/h2-6,9-11,14,16-17,19,22H,7-8,12-13,15H2,1H3/t22-/m0/s1
InChIKeyGLAGREJTNWMYCC-QFIPXVFZSA-N
MW434.57 g/mol
LogP3.77
Rot. Bonds6

About N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide

N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide (PubChem CID 25290635) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
PubChem CID25290635
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C24H26N4O2S/c1-27(23(29)20-9-14-31-17-20)22(15-18-5-3-2-4-6-18)19-7-12-28(13-8-19)24(30)21-16-25-10-11-26-21/h2-6,9-11,14,16-17,19,22H,7-8,12-13,15H2,1H3/t22-/m0/s1
InChIKeyGLAGREJTNWMYCC-QFIPXVFZSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989
N-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45214659
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 26322292
N-methyl-N-[(1S)-2-phenyl-1-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 42276524
N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 26343898
N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 45222028
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 42500962
N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42481400

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide (CID 25290635) is N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide is CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is GLAGREJTNWMYCC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-27(23(29)20-9-14-31-17-20)22(15-18-5-3-2-4-6-18)19-7-12-28(13-8-19)24(30)21-16-25-10-11-26-21/h2-6,9-11,14,16-17,19,22H,7-8,12-13,15H2,1H3/t22-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide?
N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 25290635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).