3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

C15H27ClN4O2 — CID 119927941

IUPAC3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCCNCC1CCN(CCC(=O)Nc2cc(C)on2)CC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-3-16-11-13-4-7-19(8-5-13)9-6-15(20)17-14-10-12(2)21-18-14;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18,20);1H
InChIKeyVDDUALOAOFJRNL-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.05
Rot. Bonds7

About 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (PubChem CID 119927941) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
PubChem CID119927941
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC Name3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
SMILESCCNCC1CCN(CCC(=O)Nc2cc(C)on2)CC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-3-16-11-13-4-7-19(8-5-13)9-6-15(20)17-14-10-12(2)21-18-14;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18,20);1H
InChIKeyVDDUALOAOFJRNL-UHFFFAOYSA-N
XLogP2.05
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120728104
2-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119648218
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
3-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 86771058

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (CID 119927941) is 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is CCNCC1CCN(CCC(=O)Nc2cc(C)on2)CC1.Cl.
What is the InChIKey of 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
The InChIKey is VDDUALOAOFJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-3-16-11-13-4-7-19(8-5-13)9-6-15(20)17-14-10-12(2)21-18-14;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18,20);1H.
What are the key properties of 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119927941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).