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

C11H18N2O — CID 104596852

IUPACN-but-3-ynyl-2-methylpiperidine-2-carboxamide
SMILESC#CCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14)
InChIKeyGVIACOPDEJPDQY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.66
Rot. Bonds3

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

N-but-3-ynyl-2-methylpiperidine-2-carboxamide (PubChem CID 104596852) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-but-3-ynyl-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-methylpiperidine-2-carboxamide
PubChem CID104596852
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-but-3-ynyl-2-methylpiperidine-2-carboxamide
SMILESC#CCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14)
InChIKeyGVIACOPDEJPDQY-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
CID 130847325
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
CID 114169272
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596637
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-but-3-ynyl-2-methylpiperidine-2-carboxamide (CID 104596852) is N-but-3-ynyl-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-but-3-ynyl-2-methylpiperidine-2-carboxamide is C#CCCNC(=O)C1(C)CCCCN1.
What is the InChIKey of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The InChIKey is GVIACOPDEJPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14).
What are the key properties of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
N-but-3-ynyl-2-methylpiperidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).