N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C15H21N3O4 — CID 86911870

IUPACN-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H21N3O4/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1,3,9,13H,2,4-8,10-11H2,(H,16,20)
InChIKeyLCPVINYYBKKMEH-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.81
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 86911870) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID86911870
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H21N3O4/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1,3,9,13H,2,4-8,10-11H2,(H,16,20)
InChIKeyLCPVINYYBKKMEH-UHFFFAOYSA-N
XLogP0.81
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300836
N-(furan-2-ylmethyl)-N'-[(4-nitrophenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111542008
N-[(3-bromophenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60605667
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 110053521
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
N-[2-(furan-2-yl)ethyl]-4-(oxolane-2-carbonyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 110053516
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301967
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(oxolane-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 121497979
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[(2S)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126429348

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 86911870) is N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(NCc1ccco1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is LCPVINYYBKKMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1,3,9,13H,2,4-8,10-11H2,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86911870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).