N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide

C11H24N4O — CID 80548800

IUPACN-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCCN)N1CCNCC1
InChIInChI=1S/C11H24N4O/c1-11(2,10(16)14-5-3-4-12)15-8-6-13-7-9-15/h13H,3-9,12H2,1-2H3,(H,14,16)
InChIKeyNIKQHCRKXZMSPZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.86
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548800) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548800
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCCN)N1CCNCC1
InChIInChI=1S/C11H24N4O/c1-11(2,10(16)14-5-3-4-12)15-8-6-13-7-9-15/h13H,3-9,12H2,1-2H3,(H,14,16)
InChIKeyNIKQHCRKXZMSPZ-UHFFFAOYSA-N
XLogP-0.86
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548800) is N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCCCN)N1CCNCC1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is NIKQHCRKXZMSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-11(2,10(16)14-5-3-4-12)15-8-6-13-7-9-15/h13H,3-9,12H2,1-2H3,(H,14,16).
What are the key properties of N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).