(3S)-N-methoxy-N-methylpiperidine-3-carboxamide

C8H16N2O2 — CID 81140301

IUPAC(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C8H16N2O2/c1-10(12-2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyZJTGDOHLGMRVER-ZETCQYMHSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds2

About (3S)-N-methoxy-N-methylpiperidine-3-carboxamide

(3S)-N-methoxy-N-methylpiperidine-3-carboxamide (PubChem CID 81140301) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S)-N-methoxy-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
PubChem CID81140301
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C8H16N2O2/c1-10(12-2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyZJTGDOHLGMRVER-ZETCQYMHSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
di(piperidin-3-yl)methanone
CID 69183047
(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 81129419
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
(3R)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylpiperidine-3-carboxamide
CID 124569119
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
(3S)-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81141076
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methoxy-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methoxy-N-methylpiperidine-3-carboxamide (CID 81140301) is (3S)-N-methoxy-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methoxy-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methoxy-N-methylpiperidine-3-carboxamide is CON(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methoxy-N-methylpiperidine-3-carboxamide?
The InChIKey is ZJTGDOHLGMRVER-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(12-2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-N-methoxy-N-methylpiperidine-3-carboxamide?
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81140301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).