N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide

C13H25N3O2 — CID 119595563

IUPACN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C13H25N3O2/c1-3-5-12(17)15-8-13(18)16-7-4-6-11(9-16)10(2)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyZFLMFKGCJSDOIE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide

N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide (PubChem CID 119595563) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
PubChem CID119595563
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C13H25N3O2/c1-3-5-12(17)15-8-13(18)16-7-4-6-11(9-16)10(2)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyZFLMFKGCJSDOIE-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119593332
1-[3-(1-aminoethyl)piperidin-1-yl]-3-butylsulfanylpropan-1-one;hydrochloride
CID 119596848
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide (CID 119595563) is N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide?
The InChIKey is ZFLMFKGCJSDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-12(17)15-8-13(18)16-7-4-6-11(9-16)10(2)14/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide?
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide is sourced from PubChem (CID 119595563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).