(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide

C9H16N2O3 — CID 94164989

IUPAC(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1
InChIKeyVINVRWFILPAKSR-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.64
Rot. Bonds3

About (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide

(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 94164989) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID94164989
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1
InChIKeyVINVRWFILPAKSR-ZETCQYMHSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 94164989) is (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is VINVRWFILPAKSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 94164989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).