4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C16H18N4O3 — CID 110706346

IUPAC4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18N4O3/c21-15(14-2-1-11-23-14)19-7-9-20(10-8-19)16(22)18-12-13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22)
InChIKeyUYRPZAOLWCYGPB-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.34
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 110706346) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID110706346
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18N4O3/c21-15(14-2-1-11-23-14)19-7-9-20(10-8-19)16(22)18-12-13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22)
InChIKeyUYRPZAOLWCYGPB-UHFFFAOYSA-N
XLogP1.34
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199927
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 136529148
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone
CID 20875746
N-[(3-chloro-2-methylphenyl)methyl]-4-(furan-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 122563335
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963516
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 110706346) is 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccncc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UYRPZAOLWCYGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(14-2-1-11-23-14)19-7-9-20(10-8-19)16(22)18-12-13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22).
What are the key properties of 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110706346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).