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

C12H25N3O2 — CID 79736765

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H25N3O2/c1-2-11(12(14)16)15-7-4-10(5-8-15)17-9-3-6-13/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyTUQUCABGSQVEPT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.08
Rot. Bonds7

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

2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide (PubChem CID 79736765) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
PubChem CID79736765
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H25N3O2/c1-2-11(12(14)16)15-7-4-10(5-8-15)17-9-3-6-13/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyTUQUCABGSQVEPT-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
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

ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
CID 79736574
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
3-[1-[1-(furan-2-yl)propyl]piperidin-4-yl]oxypropan-1-amine
CID 79732715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide (CID 79736765) is 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide is CCC(C(N)=O)N1CCC(OCCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide?
The InChIKey is TUQUCABGSQVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-11(12(14)16)15-7-4-10(5-8-15)17-9-3-6-13/h10-11H,2-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide is sourced from PubChem (CID 79736765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).