N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide

C26H25FN4O2 — CID 138585124

IUPACN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN4O2/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2
InChIKeyDZVAMGATOARQCF-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.92
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 138585124) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide
PubChem CID138585124
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H25FN4O2/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2
InChIKeyDZVAMGATOARQCF-UHFFFAOYSA-N
XLogP4.92
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide (CID 138585124) is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide is O=C(c1ccco1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is DZVAMGATOARQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 138585124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).