1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

C23H25N5O3S — CID 60618189

IUPAC1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C23H25N5O3S/c1-27-15-17(14-25-27)21(29)24-13-16-8-10-28(11-9-16)23(31)18-5-2-3-6-19(18)26-22(30)20-7-4-12-32-20/h2-7,12,14-16H,8-11,13H2,1H3,(H,24,29)(H,26,30)
InChIKeyADHLAZDDUTUHGI-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.02
Rot. Bonds6

About 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 60618189) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID60618189
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C23H25N5O3S/c1-27-15-17(14-25-27)21(29)24-13-16-8-10-28(11-9-16)23(31)18-5-2-3-6-19(18)26-22(30)20-7-4-12-32-20/h2-7,12,14-16H,8-11,13H2,1H3,(H,24,29)(H,26,30)
InChIKeyADHLAZDDUTUHGI-UHFFFAOYSA-N
XLogP3.02
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 52845992
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 60618189) is 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cn1.
What is the InChIKey of 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is ADHLAZDDUTUHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-27-15-17(14-25-27)21(29)24-13-16-8-10-28(11-9-16)23(31)18-5-2-3-6-19(18)26-22(30)20-7-4-12-32-20/h2-7,12,14-16H,8-11,13H2,1H3,(H,24,29)(H,26,30).
What are the key properties of 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 60618189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).