N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C18H26N4O2 — CID 46986989

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C18H26N4O2/c1-13-17(14(2)21-20-13)7-8-19-18(23)15-5-3-9-22(11-15)12-16-6-4-10-24-16/h4,6,10,15H,3,5,7-9,11-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJMFAFEMVSRCKTD-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 46986989) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID46986989
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C18H26N4O2/c1-13-17(14(2)21-20-13)7-8-19-18(23)15-5-3-9-22(11-15)12-16-6-4-10-24-16/h4,6,10,15H,3,5,7-9,11-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJMFAFEMVSRCKTD-UHFFFAOYSA-N
XLogP2.19
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 46986989) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JMFAFEMVSRCKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-17(14(2)21-20-13)7-8-19-18(23)15-5-3-9-22(11-15)12-16-6-4-10-24-16/h4,6,10,15H,3,5,7-9,11-12H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).