1-but-3-ynyl-N-methylpiperidine-2-carboxamide

C11H18N2O — CID 63656435

IUPAC1-but-3-ynyl-N-methylpiperidine-2-carboxamide
SMILESC#CCCN1CCCCC1C(=O)NC
InChIInChI=1S/C11H18N2O/c1-3-4-8-13-9-6-5-7-10(13)11(14)12-2/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeySWXPXSOTKUXXTK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds3

About 1-but-3-ynyl-N-methylpiperidine-2-carboxamide

1-but-3-ynyl-N-methylpiperidine-2-carboxamide (PubChem CID 63656435) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-but-3-ynyl-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-but-3-ynyl-N-methylpiperidine-2-carboxamide
PubChem CID63656435
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-but-3-ynyl-N-methylpiperidine-2-carboxamide
SMILESC#CCCN1CCCCC1C(=O)NC
InChIInChI=1S/C11H18N2O/c1-3-4-8-13-9-6-5-7-10(13)11(14)12-2/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeySWXPXSOTKUXXTK-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
1-(2-cyclohexyl-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 104750574
1-(2-aminopropyl)-N-methylpiperidine-2-carboxamide
CID 102688966
(2S)-1-(2,2-dimethylpropyl)-N-methylpyrrolidine-2-carboxamide
CID 140912286
N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
CID 62037244
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate
CID 10061025
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-but-3-ynyl-N-methylpiperidine-2-carboxamide (CID 63656435) is 1-but-3-ynyl-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-but-3-ynyl-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-but-3-ynyl-N-methylpiperidine-2-carboxamide is C#CCCN1CCCCC1C(=O)NC.
What is the InChIKey of 1-but-3-ynyl-N-methylpiperidine-2-carboxamide?
The InChIKey is SWXPXSOTKUXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-13-9-6-5-7-10(13)11(14)12-2/h1,10H,4-9H2,2H3,(H,12,14).
What are the key properties of 1-but-3-ynyl-N-methylpiperidine-2-carboxamide?
1-but-3-ynyl-N-methylpiperidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 63656435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).