methyl 3-oxo-3-(piperidin-3-ylamino)propanoate

C9H16N2O3 — CID 117126379

IUPACmethyl 3-oxo-3-(piperidin-3-ylamino)propanoate
SMILESCOC(=O)CC(=O)NC1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)5-8(12)11-7-3-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyZGJNWIODKOSAQY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds3

About methyl 3-oxo-3-(piperidin-3-ylamino)propanoate

methyl 3-oxo-3-(piperidin-3-ylamino)propanoate (PubChem CID 117126379) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 3-oxo-3-(piperidin-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-oxo-3-(piperidin-3-ylamino)propanoate
PubChem CID117126379
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 3-oxo-3-(piperidin-3-ylamino)propanoate
SMILESCOC(=O)CC(=O)NC1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)5-8(12)11-7-3-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyZGJNWIODKOSAQY-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-piperidin-3-ylpropanamide
CID 3520588
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
CID 165441012
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-3-(piperidin-3-ylamino)propanoate?
The IUPAC name of methyl 3-oxo-3-(piperidin-3-ylamino)propanoate (CID 117126379) is methyl 3-oxo-3-(piperidin-3-ylamino)propanoate.
What is the SMILES notation for methyl 3-oxo-3-(piperidin-3-ylamino)propanoate?
The canonical SMILES for methyl 3-oxo-3-(piperidin-3-ylamino)propanoate is COC(=O)CC(=O)NC1CCCNC1.
What is the InChIKey of methyl 3-oxo-3-(piperidin-3-ylamino)propanoate?
The InChIKey is ZGJNWIODKOSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)5-8(12)11-7-3-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 3-oxo-3-(piperidin-3-ylamino)propanoate?
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3-(piperidin-3-ylamino)propanoate is sourced from PubChem (CID 117126379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).