3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C13H26ClN3O3 — CID 120579984

IUPAC3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOCCC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-19-9-6-13(18)16-8-3-2-4-11(16)10-15-12(17)5-7-14;/h11H,2-10,14H2,1H3,(H,15,17);1H
InChIKeyPHPDEYGCKLLZFR-UHFFFAOYSA-N
MW307.82 g/mol
LogP0.29
Rot. Bonds7

About 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579984) has the molecular formula C13H26ClN3O3 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579984
Molecular FormulaC13H26ClN3O3
Molecular Weight307.82 g/mol
Exact Mass307.17
IUPAC Name3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOCCC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-19-9-6-13(18)16-8-3-2-4-11(16)10-15-12(17)5-7-14;/h11H,2-10,14H2,1H3,(H,15,17);1H
InChIKeyPHPDEYGCKLLZFR-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578788
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579984) is 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is COCCC(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is PHPDEYGCKLLZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.ClH/c1-19-9-6-13(18)16-8-3-2-4-11(16)10-15-12(17)5-7-14;/h11H,2-10,14H2,1H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).