N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C21H28N4O3 — CID 134015009

IUPACN-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N4O3/c1-17(23-21(27)19-8-5-15-28-19)20(26)22-9-10-24-11-13-25(14-12-24)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,22,26)(H,23,27)
InChIKeyQBFUVYGTDBQJHE-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.33
Rot. Bonds8

About N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 134015009) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID134015009
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N4O3/c1-17(23-21(27)19-8-5-15-28-19)20(26)22-9-10-24-11-13-25(14-12-24)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,22,26)(H,23,27)
InChIKeyQBFUVYGTDBQJHE-UHFFFAOYSA-N
XLogP1.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 134015009) is N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is QBFUVYGTDBQJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-17(23-21(27)19-8-5-15-28-19)20(26)22-9-10-24-11-13-25(14-12-24)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 134015009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).