methyl 2-(piperidine-3-carbonylamino)acetate

C9H16N2O3 — CID 60913799

IUPACmethyl 2-(piperidine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,13)
InChIKeyIQRGHVLIIQQCEB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.72
Rot. Bonds3

About methyl 2-(piperidine-3-carbonylamino)acetate

methyl 2-(piperidine-3-carbonylamino)acetate (PubChem CID 60913799) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-(piperidine-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(piperidine-3-carbonylamino)acetate
PubChem CID60913799
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-(piperidine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,13)
InChIKeyIQRGHVLIIQQCEB-UHFFFAOYSA-N
XLogP-0.72
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 ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123203
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidine-3-carbonylamino)acetate?
The IUPAC name of methyl 2-(piperidine-3-carbonylamino)acetate (CID 60913799) is methyl 2-(piperidine-3-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(piperidine-3-carbonylamino)acetate?
The canonical SMILES for methyl 2-(piperidine-3-carbonylamino)acetate is COC(=O)CNC(=O)C1CCCNC1.
What is the InChIKey of methyl 2-(piperidine-3-carbonylamino)acetate?
The InChIKey is IQRGHVLIIQQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,13).
What are the key properties of methyl 2-(piperidine-3-carbonylamino)acetate?
methyl 2-(piperidine-3-carbonylamino)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidine-3-carbonylamino)acetate is sourced from PubChem (CID 60913799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).