N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide

C15H27N3O3 — CID 113122823

IUPACN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C=O)CC1)CCC(C)C
InChIInChI=1S/C15H27N3O3/c1-13(2)4-6-17(14(3)20)7-5-15(21)18-10-8-16(12-19)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyUWRCKSYZSMUGKE-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.57
Rot. Bonds7

About N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide

N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide (PubChem CID 113122823) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
PubChem CID113122823
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C=O)CC1)CCC(C)C
InChIInChI=1S/C15H27N3O3/c1-13(2)4-6-17(14(3)20)7-5-15(21)18-10-8-16(12-19)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyUWRCKSYZSMUGKE-UHFFFAOYSA-N
XLogP0.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113122821
N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
CID 113122869
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
CID 82113570
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113119882
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113159226
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115973
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
N-(2-bromo-4-methylphenyl)-N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113132699
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide (CID 113122823) is N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCC(=O)N1CCN(C=O)CC1)CCC(C)C.
What is the InChIKey of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide?
The InChIKey is UWRCKSYZSMUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13(2)4-6-17(14(3)20)7-5-15(21)18-10-8-16(12-19)9-11-18/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide?
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113122823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).