N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide

C17H23N3O2 — CID 24980922

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H23N3O2/c1-19-9-5-7-14(19)17(21)18-13-15(16-8-6-12-22-16)20-10-3-2-4-11-20/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,18,21)
InChIKeyRDPBSTRBGMWKTC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 24980922) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
PubChem CID24980922
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H23N3O2/c1-19-9-5-7-14(19)17(21)18-13-15(16-8-6-12-22-16)20-10-3-2-4-11-20/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,18,21)
InChIKeyRDPBSTRBGMWKTC-UHFFFAOYSA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide (CID 24980922) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RDPBSTRBGMWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-9-5-7-14(19)17(21)18-13-15(16-8-6-12-22-16)20-10-3-2-4-11-20/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24980922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).