1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C16H22N4O3 — CID 128976151

IUPAC1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3ccc(CO)o3)C2)n1
InChIInChI=1S/C16H22N4O3/c1-17-16(22)15-6-8-20(18-15)12-3-2-7-19(9-12)10-13-4-5-14(11-21)23-13/h4-6,8,12,21H,2-3,7,9-11H2,1H3,(H,17,22)
InChIKeyZKSZMEMYPWFGBG-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.17
Rot. Bonds5

About 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 128976151) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID128976151
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3ccc(CO)o3)C2)n1
InChIInChI=1S/C16H22N4O3/c1-17-16(22)15-6-8-20(18-15)12-3-2-7-19(9-12)10-13-4-5-14(11-21)23-13/h4-6,8,12,21H,2-3,7,9-11H2,1H3,(H,17,22)
InChIKeyZKSZMEMYPWFGBG-UHFFFAOYSA-N
XLogP1.17
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129344407
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129475944
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142
N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 136541575
N-methyl-1-[(3R)-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129477222

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 128976151) is 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(Cc3ccc(CO)o3)C2)n1.
What is the InChIKey of 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is ZKSZMEMYPWFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-17-16(22)15-6-8-20(18-15)12-3-2-7-19(9-12)10-13-4-5-14(11-21)23-13/h4-6,8,12,21H,2-3,7,9-11H2,1H3,(H,17,22).
What are the key properties of 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 128976151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).