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

C11H18N2O — CID 127003919

IUPACN-but-2-ynyl-2-methylpiperidine-3-carboxamide
SMILESCC#CCNC(=O)C1CCCNC1C
InChIInChI=1S/C11H18N2O/c1-3-4-7-13-11(14)10-6-5-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14)
InChIKeyXWSUKRUMRFLXIF-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds2

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

N-but-2-ynyl-2-methylpiperidine-3-carboxamide (PubChem CID 127003919) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-but-2-ynyl-2-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-methylpiperidine-3-carboxamide
PubChem CID127003919
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-but-2-ynyl-2-methylpiperidine-3-carboxamide
SMILESCC#CCNC(=O)C1CCCNC1C
InChIInChI=1S/C11H18N2O/c1-3-4-7-13-11(14)10-6-5-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14)
InChIKeyXWSUKRUMRFLXIF-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
N-hydroxy-2-methylpiperidine-3-carboxamide
CID 130757003
N-(2-methoxy-2-methylpropyl)-2-methylpiperidine-3-carboxamide
CID 104761997
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylpiperidine-3-carboxamide
CID 105418341
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
CID 114137522
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-methylpiperidine-3-carboxamide?
The IUPAC name of N-but-2-ynyl-2-methylpiperidine-3-carboxamide (CID 127003919) is N-but-2-ynyl-2-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-but-2-ynyl-2-methylpiperidine-3-carboxamide?
The canonical SMILES for N-but-2-ynyl-2-methylpiperidine-3-carboxamide is CC#CCNC(=O)C1CCCNC1C.
What is the InChIKey of N-but-2-ynyl-2-methylpiperidine-3-carboxamide?
The InChIKey is XWSUKRUMRFLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-7-13-11(14)10-6-5-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14).
What are the key properties of N-but-2-ynyl-2-methylpiperidine-3-carboxamide?
N-but-2-ynyl-2-methylpiperidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-methylpiperidine-3-carboxamide is sourced from PubChem (CID 127003919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).