N-methoxy-3-methylpiperidine-4-carboxamide

C8H16N2O2 — CID 130516234

IUPACN-methoxy-3-methylpiperidine-4-carboxamide
SMILESCONC(=O)C1CCNCC1C
InChIInChI=1S/C8H16N2O2/c1-6-5-9-4-3-7(6)8(11)10-12-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyWSEIKOHZGQXHGX-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.09
Rot. Bonds2

About N-methoxy-3-methylpiperidine-4-carboxamide

N-methoxy-3-methylpiperidine-4-carboxamide (PubChem CID 130516234) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-methoxy-3-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-3-methylpiperidine-4-carboxamide
PubChem CID130516234
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-methoxy-3-methylpiperidine-4-carboxamide
SMILESCONC(=O)C1CCNCC1C
InChIInChI=1S/C8H16N2O2/c1-6-5-9-4-3-7(6)8(11)10-12-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyWSEIKOHZGQXHGX-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-methylpiperidine-4-carboxamide
CID 130516172
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
CID 114278839
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
CID 82724672
ethane;methyl 3-(methylamino)piperidine-4-carboxylate
CID 91482609
N-(3-ethylcyclohexyl)-3-methylpiperidine-4-carboxamide
CID 114278691

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-methylpiperidine-4-carboxamide?
The IUPAC name of N-methoxy-3-methylpiperidine-4-carboxamide (CID 130516234) is N-methoxy-3-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-methoxy-3-methylpiperidine-4-carboxamide?
The canonical SMILES for N-methoxy-3-methylpiperidine-4-carboxamide is CONC(=O)C1CCNCC1C.
What is the InChIKey of N-methoxy-3-methylpiperidine-4-carboxamide?
The InChIKey is WSEIKOHZGQXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-5-9-4-3-7(6)8(11)10-12-2/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-methoxy-3-methylpiperidine-4-carboxamide?
N-methoxy-3-methylpiperidine-4-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-methylpiperidine-4-carboxamide is sourced from PubChem (CID 130516234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).