N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C20H23N3O4 — CID 42908363

IUPACN-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(21-19(25)18-4-3-13-27-18)20(26)23-11-9-22(10-12-23)17-7-5-16(6-8-17)15(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)
InChIKeyMRVFDOLKBNTMRF-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 42908363) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID42908363
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(21-19(25)18-4-3-13-27-18)20(26)23-11-9-22(10-12-23)17-7-5-16(6-8-17)15(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)
InChIKeyMRVFDOLKBNTMRF-UHFFFAOYSA-N
XLogP1.95
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 134045047
N-[(2S)-1-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 9362518

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 42908363) is N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is MRVFDOLKBNTMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(21-19(25)18-4-3-13-27-18)20(26)23-11-9-22(10-12-23)17-7-5-16(6-8-17)15(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42908363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).