N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide

C16H19N3O4 — CID 4051467

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccco1
InChIInChI=1S/C16H19N3O4/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20)
InChIKeyNTUJWPSKYLCSAG-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 4051467) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID4051467
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccco1
InChIInChI=1S/C16H19N3O4/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20)
InChIKeyNTUJWPSKYLCSAG-UHFFFAOYSA-N
XLogP1.06
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 110397730
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168602

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide (CID 4051467) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is NTUJWPSKYLCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 4051467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).