N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide

C17H25N3O2 — CID 2204667

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-4-5-16(21)18-15-8-6-14(7-9-15)17(22)20-12-10-19(2)11-13-20/h6-9H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyFGIAFWNXBIQVGQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.20
Rot. Bonds5

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide (PubChem CID 2204667) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
PubChem CID2204667
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-4-5-16(21)18-15-8-6-14(7-9-15)17(22)20-12-10-19(2)11-13-20/h6-9H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyFGIAFWNXBIQVGQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide (CID 2204667) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The InChIKey is FGIAFWNXBIQVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-4-5-16(21)18-15-8-6-14(7-9-15)17(22)20-12-10-19(2)11-13-20/h6-9H,3-5,10-13H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide has a molecular weight of 303.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 2204667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).