N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide

C16H22N4OS — CID 131893031

IUPACN-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
SMILESCc1cnc(CN2CCCC(CNC(=O)c3ccsc3)C2)[nH]1
InChIInChI=1S/C16H22N4OS/c1-12-7-17-15(19-12)10-20-5-2-3-13(9-20)8-18-16(21)14-4-6-22-11-14/h4,6-7,11,13H,2-3,5,8-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyJNDYMZIRUZZVEP-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide

N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 131893031) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
PubChem CID131893031
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
SMILESCc1cnc(CN2CCCC(CNC(=O)c3ccsc3)C2)[nH]1
InChIInChI=1S/C16H22N4OS/c1-12-7-17-15(19-12)10-20-5-2-3-13(9-20)8-18-16(21)14-4-6-22-11-14/h4,6-7,11,13H,2-3,5,8-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyJNDYMZIRUZZVEP-UHFFFAOYSA-N
XLogP2.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 56708358
N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95204634
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131929434
3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide (CID 131893031) is N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide is Cc1cnc(CN2CCCC(CNC(=O)c3ccsc3)C2)[nH]1.
What is the InChIKey of N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is JNDYMZIRUZZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-7-17-15(19-12)10-20-5-2-3-13(9-20)8-18-16(21)14-4-6-22-11-14/h4,6-7,11,13H,2-3,5,8-10H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide?
N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 131893031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).