N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

C16H22N4OS — CID 45187235

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCCC(CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)
InChIKeyCKNYAHYCGCYREX-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.12
Rot. Bonds5

About N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 45187235) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID45187235
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCCC(CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)
InChIKeyCKNYAHYCGCYREX-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
4-ethyl-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-thiophenecarboxamide
CID 1245360
{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16189017
{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16192237
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-thieno[2,3-c]pyridin-7-one
CID 126739492
{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-methyl-2-thienyl)methanone
CID 16189994
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794
4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118433017

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 45187235) is N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is Cn1cc(CN2CCCC(CNC(=O)c3cccs3)C2)cn1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CKNYAHYCGCYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21).
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45187235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).