2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide

C10H16N2O2 — CID 130847325

IUPAC2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
SMILESC#CCONC(=O)C1(C)CCCCN1
InChIInChI=1S/C10H16N2O2/c1-3-8-14-12-9(13)10(2)6-4-5-7-11-10/h1,11H,4-8H2,2H3,(H,12,13)
InChIKeyPARDVTRNCTUAJN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.20
Rot. Bonds3

About 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide

2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide (PubChem CID 130847325) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
PubChem CID130847325
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
SMILESC#CCONC(=O)C1(C)CCCCN1
InChIInChI=1S/C10H16N2O2/c1-3-8-14-12-9(13)10(2)6-4-5-7-11-10/h1,11H,4-8H2,2H3,(H,12,13)
InChIKeyPARDVTRNCTUAJN-UHFFFAOYSA-N
XLogP0.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide (CID 130847325) is 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide is C#CCONC(=O)C1(C)CCCCN1.
What is the InChIKey of 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide?
The InChIKey is PARDVTRNCTUAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-14-12-9(13)10(2)6-4-5-7-11-10/h1,11H,4-8H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide?
2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide is sourced from PubChem (CID 130847325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).