N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide

C12H23N3O2 — CID 61251319

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-11(16)10-12(17)13-4-3-5-15-8-6-14(2)7-9-15/h3-10H2,1-2H3,(H,13,17)
InChIKeyAIVKXINAOSWYCZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.28
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide

N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide (PubChem CID 61251319) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
PubChem CID61251319
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-11(16)10-12(17)13-4-3-5-15-8-6-14(2)7-9-15/h3-10H2,1-2H3,(H,13,17)
InChIKeyAIVKXINAOSWYCZ-UHFFFAOYSA-N
XLogP-0.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide (CID 61251319) is N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide is CC(=O)CC(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide?
The InChIKey is AIVKXINAOSWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(16)10-12(17)13-4-3-5-15-8-6-14(2)7-9-15/h3-10H2,1-2H3,(H,13,17).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide has a molecular weight of 241.33 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide is sourced from PubChem (CID 61251319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).