N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide

C24H30N4O2 — CID 24791012

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-4-22-9-10-23(30-22)16-27-13-11-19(12-14-27)24(29)25-20-5-7-21(8-6-20)28-18(3)15-17(2)26-28/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyKEHJSHMVZBMKNB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.50
Rot. Bonds6

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 24791012) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID24791012
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-4-22-9-10-23(30-22)16-27-13-11-19(12-14-27)24(29)25-20-5-7-21(8-6-20)28-18(3)15-17(2)26-28/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyKEHJSHMVZBMKNB-UHFFFAOYSA-N
XLogP4.50
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 24791012) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KEHJSHMVZBMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-22-9-10-23(30-22)16-27-13-11-19(12-14-27)24(29)25-20-5-7-21(8-6-20)28-18(3)15-17(2)26-28/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).