N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide

C12H23N3O3 — CID 79735173

IUPACN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-9-12(17)15-6-3-11(4-7-15)18-8-2-5-13/h11H,2-9,13H2,1H3,(H,14,16)
InChIKeyVNWCLOGWWNYORW-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 79735173) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID79735173
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-9-12(17)15-6-3-11(4-7-15)18-8-2-5-13/h11H,2-9,13H2,1H3,(H,14,16)
InChIKeyVNWCLOGWWNYORW-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
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

1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
1-[4-(3-aminopropoxy)piperidin-1-yl]-3,5-dimethylhexan-1-one;hydrochloride
CID 119663849
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119664765

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide (CID 79735173) is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is VNWCLOGWWNYORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(16)14-9-12(17)15-6-3-11(4-7-15)18-8-2-5-13/h11H,2-9,13H2,1H3,(H,14,16).
What are the key properties of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 79735173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).