N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide

C16H22ClN3O2 — CID 935049

IUPACN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-15(21)18-13-11-12(17)5-6-14(13)19-7-9-20(10-8-19)16(22)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeyDFGHHFFLULKYJW-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.75
Rot. Bonds4

About N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide

N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide (PubChem CID 935049) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide
PubChem CID935049
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-15(21)18-13-11-12(17)5-6-14(13)19-7-9-20(10-8-19)16(22)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeyDFGHHFFLULKYJW-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide (CID 935049) is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1.
What is the InChIKey of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is DFGHHFFLULKYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-3-15(21)18-13-11-12(17)5-6-14(13)19-7-9-20(10-8-19)16(22)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide?
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 323.82 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 935049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).