N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide

C17H22N4O5 — CID 55816213

IUPACN-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccoc1
InChIInChI=1S/C17H22N4O5/c22-14(11-18-15(23)13-3-10-26-12-13)19-6-8-21(9-7-19)17(25)16(24)20-4-1-2-5-20/h3,10,12H,1-2,4-9,11H2,(H,18,23)
InChIKeyDDNVZAXITKTBOH-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.70
Rot. Bonds3

About N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide

N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide (PubChem CID 55816213) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
PubChem CID55816213
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccoc1
InChIInChI=1S/C17H22N4O5/c22-14(11-18-15(23)13-3-10-26-12-13)19-6-8-21(9-7-19)17(25)16(24)20-4-1-2-5-20/h3,10,12H,1-2,4-9,11H2,(H,18,23)
InChIKeyDDNVZAXITKTBOH-UHFFFAOYSA-N
XLogP-0.70
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
CID 95180599
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 46429322
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55656853
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55650509
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide (CID 55816213) is N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide is O=C(NCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccoc1.
What is the InChIKey of N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is DDNVZAXITKTBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c22-14(11-18-15(23)13-3-10-26-12-13)19-6-8-21(9-7-19)17(25)16(24)20-4-1-2-5-20/h3,10,12H,1-2,4-9,11H2,(H,18,23).
What are the key properties of N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide?
N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55816213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).