N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

C16H22N4OS — CID 131893384

IUPACN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ncc(CN2CCC(CNC(=O)c3cccs3)CC2)[nH]1
InChIInChI=1S/C16H22N4OS/c1-12-17-10-14(19-12)11-20-6-4-13(5-7-20)9-18-16(21)15-3-2-8-22-15/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,17,19)(H,18,21)
InChIKeyJTUFADZFRGKSKM-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 131893384) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID131893384
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ncc(CN2CCC(CNC(=O)c3cccs3)CC2)[nH]1
InChIInChI=1S/C16H22N4OS/c1-12-17-10-14(19-12)11-20-6-4-13(5-7-20)9-18-16(21)15-3-2-8-22-15/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,17,19)(H,18,21)
InChIKeyJTUFADZFRGKSKM-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

2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 131924794
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
2-(4-fluorophenyl)-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95199379
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51092774

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 131893384) is N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is Cc1ncc(CN2CCC(CNC(=O)c3cccs3)CC2)[nH]1.
What is the InChIKey of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is JTUFADZFRGKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-17-10-14(19-12)11-20-6-4-13(5-7-20)9-18-16(21)15-3-2-8-22-15/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-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-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 131893384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).