3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide

C13H26N4O2 — CID 120967162

IUPAC3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
SMILESCCNC(=O)CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C13H26N4O2/c1-2-15-13(19)10-17-8-4-3-5-11(17)9-16-12(18)6-7-14/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyZRNQZFOEESPOHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.56
Rot. Bonds7

About 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120967162) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
PubChem CID120967162
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
SMILESCCNC(=O)CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C13H26N4O2/c1-2-15-13(19)10-17-8-4-3-5-11(17)9-16-12(18)6-7-14/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyZRNQZFOEESPOHL-UHFFFAOYSA-N
XLogP-0.56
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(2-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911094
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910898
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910897
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911130
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide (CID 120967162) is 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide is CCNC(=O)CN1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is ZRNQZFOEESPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-15-13(19)10-17-8-4-3-5-11(17)9-16-12(18)6-7-14/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 270.38 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120967162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).