N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide

C16H21N3O2 — CID 67632618

IUPACN-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
SMILESCCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-19-6-3-12(4-7-19)14-9-15(17-10-14)18-16(20)13-5-8-21-11-13/h5,8-12,17H,2-4,6-7H2,1H3,(H,18,20)
InChIKeyXKUXIBIRXPGQMP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide

N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide (PubChem CID 67632618) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
PubChem CID67632618
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
SMILESCCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-19-6-3-12(4-7-19)14-9-15(17-10-14)18-16(20)13-5-8-21-11-13/h5,8-12,17H,2-4,6-7H2,1H3,(H,18,20)
InChIKeyXKUXIBIRXPGQMP-UHFFFAOYSA-N
XLogP3.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide (CID 67632618) is N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide is CCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1.
What is the InChIKey of N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The InChIKey is XKUXIBIRXPGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19-6-3-12(4-7-19)14-9-15(17-10-14)18-16(20)13-5-8-21-11-13/h5,8-12,17H,2-4,6-7H2,1H3,(H,18,20).
What are the key properties of N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 67632618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).