N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C14H18N4O2 — CID 168890484

IUPACN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C14H18N4O2/c19-14(16-7-10-3-5-15-6-4-10)13-2-1-12(20-13)11-8-17-18-9-11/h1-2,8-10,15H,3-7H2,(H,16,19)(H,17,18)
InChIKeyRXHHPLRUHLNGPU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 168890484) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID168890484
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C14H18N4O2/c19-14(16-7-10-3-5-15-6-4-10)13-2-1-12(20-13)11-8-17-18-9-11/h1-2,8-10,15H,3-7H2,(H,16,19)(H,17,18)
InChIKeyRXHHPLRUHLNGPU-UHFFFAOYSA-N
XLogP1.40
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 168890484) is N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is O=C(NCC1CCNCC1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is RXHHPLRUHLNGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(16-7-10-3-5-15-6-4-10)13-2-1-12(20-13)11-8-17-18-9-11/h1-2,8-10,15H,3-7H2,(H,16,19)(H,17,18).
What are the key properties of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 168890484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).