5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

C23H28N4O2 — CID 131951497

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)c3ccccc3-n3cccn3)o2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-10-14-26(15-11-17)16-19-8-9-22(29-19)23(28)25-18(2)20-6-3-4-7-21(20)27-13-5-12-24-27/h3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,25,28)
InChIKeyKRZCBSZVINCFEU-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.19
Rot. Bonds6

About 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 131951497) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID131951497
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)c3ccccc3-n3cccn3)o2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-10-14-26(15-11-17)16-19-8-9-22(29-19)23(28)25-18(2)20-6-3-4-7-21(20)27-13-5-12-24-27/h3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,25,28)
InChIKeyKRZCBSZVINCFEU-UHFFFAOYSA-N
XLogP4.19
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 91785737
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 46956995
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
CID 90649963
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 131951497) is 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is CC1CCN(Cc2ccc(C(=O)NC(C)c3ccccc3-n3cccn3)o2)CC1.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is KRZCBSZVINCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-10-14-26(15-11-17)16-19-8-9-22(29-19)23(28)25-18(2)20-6-3-4-7-21(20)27-13-5-12-24-27/h3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,25,28).
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 131951497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).