methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride

C11H21ClN2O3 — CID 67598911

IUPACmethyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C(C)=O)C1CCNCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-9(14)13(8-5-11(15)16-2)10-3-6-12-7-4-10;/h10,12H,3-8H2,1-2H3;1H
InChIKeyOSKSVRPWROGCEE-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.57
Rot. Bonds4

About methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride

methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride (PubChem CID 67598911) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
PubChem CID67598911
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C(C)=O)C1CCNCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-9(14)13(8-5-11(15)16-2)10-3-6-12-7-4-10;/h10,12H,3-8H2,1-2H3;1H
InChIKeyOSKSVRPWROGCEE-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
methyl 3-[methyl(piperidin-4-yl)amino]butanoate
CID 43607263
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
CID 62209865
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride (CID 67598911) is methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride is COC(=O)CCN(C(C)=O)C1CCNCC1.Cl.
What is the InChIKey of methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride?
The InChIKey is OSKSVRPWROGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-9(14)13(8-5-11(15)16-2)10-3-6-12-7-4-10;/h10,12H,3-8H2,1-2H3;1H.
What are the key properties of methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride?
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride is sourced from PubChem (CID 67598911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).