3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

C14H25ClN4O2 — CID 120728104

IUPAC3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2CCCC(CCN)C2)no1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-11-9-13(17-20-11)16-14(19)5-8-18-7-2-3-12(10-18)4-6-15;/h9,12H,2-8,10,15H2,1H3,(H,16,17,19);1H
InChIKeyVPONGJOYYQPUBM-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.79
Rot. Bonds6

About 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (PubChem CID 120728104) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
PubChem CID120728104
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2CCCC(CCN)C2)no1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-11-9-13(17-20-11)16-14(19)5-8-18-7-2-3-12(10-18)4-6-15;/h9,12H,2-8,10,15H2,1H3,(H,16,17,19);1H
InChIKeyVPONGJOYYQPUBM-UHFFFAOYSA-N
XLogP1.79
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
3-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 86771058
N-(2-aminoethyl)-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidine-3-carboxamide
CID 119916883
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
CID 120728374
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 81491262
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (CID 120728104) is 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is Cc1cc(NC(=O)CCN2CCCC(CCN)C2)no1.Cl.
What is the InChIKey of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The InChIKey is VPONGJOYYQPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-11-9-13(17-20-11)16-14(19)5-8-18-7-2-3-12(10-18)4-6-15;/h9,12H,2-8,10,15H2,1H3,(H,16,17,19);1H.
What are the key properties of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120728104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).