3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide

C12H25N3O2 — CID 79735235

IUPAC3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
SMILESCC(CN1CCC(OCCCN)CC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(12(14)16)9-15-6-3-11(4-7-15)17-8-2-5-13/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyTZIQAQSSTCYZMV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.06
Rot. Bonds7

About 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide

3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide (PubChem CID 79735235) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
PubChem CID79735235
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
SMILESCC(CN1CCC(OCCCN)CC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-10(12(14)16)9-15-6-3-11(4-7-15)17-8-2-5-13/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyTZIQAQSSTCYZMV-UHFFFAOYSA-N
XLogP-0.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
CID 79736765
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
1-[4-(2-aminoethoxy)piperidin-1-yl]propan-2-ol
CID 82693746
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
CID 79736085
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
1-[4-(3-aminopropoxy)piperidin-1-yl]-3,5-dimethylhexan-1-one;hydrochloride
CID 119663849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide (CID 79735235) is 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide is CC(CN1CCC(OCCCN)CC1)C(N)=O.
What is the InChIKey of 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide?
The InChIKey is TZIQAQSSTCYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(12(14)16)9-15-6-3-11(4-7-15)17-8-2-5-13/h10-11H,2-9,13H2,1H3,(H2,14,16).
What are the key properties of 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide?
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 79735235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).