N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide

C21H27N3O4 — CID 55490095

IUPACN-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)CC1
InChIInChI=1S/C21H27N3O4/c1-14(18(25)22-16-7-8-16)23-9-11-24(12-10-23)20(27)21(2)13-15-5-3-4-6-17(15)19(26)28-21/h3-6,14,16H,7-13H2,1-2H3,(H,22,25)
InChIKeyFMIPHEJJNMREQF-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.97
Rot. Bonds4

About N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 55490095) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID55490095
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)CC1
InChIInChI=1S/C21H27N3O4/c1-14(18(25)22-16-7-8-16)23-9-11-24(12-10-23)20(27)21(2)13-15-5-3-4-6-17(15)19(26)28-21/h3-6,14,16H,7-13H2,1-2H3,(H,22,25)
InChIKeyFMIPHEJJNMREQF-UHFFFAOYSA-N
XLogP0.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide (CID 55490095) is N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is FMIPHEJJNMREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(18(25)22-16-7-8-16)23-9-11-24(12-10-23)20(27)21(2)13-15-5-3-4-6-17(15)19(26)28-21/h3-6,14,16H,7-13H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55490095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).