[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H22N4O2 — CID 131932023

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C16H22N4O2/c1-19(2)11-13-5-6-15(22-13)16(21)20-9-3-4-12(10-20)14-7-8-17-18-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyYISQISMNFMDJRK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds4

About [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 131932023) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID131932023
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C16H22N4O2/c1-19(2)11-13-5-6-15(22-13)16(21)20-9-3-4-12(10-20)14-7-8-17-18-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyYISQISMNFMDJRK-UHFFFAOYSA-N
XLogP2.08
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone 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

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71896158
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25460748
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 126433190

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 131932023) is [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YISQISMNFMDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)11-13-5-6-15(22-13)16(21)20-9-3-4-12(10-20)14-7-8-17-18-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131932023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).