N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide

C11H18N2O — CID 104597142

IUPACN,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN(C)C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-4-9-13(3)10(14)11(2)7-5-6-8-12-11/h1,12H,5-9H2,2-3H3
InChIKeyMTOIWBFMWAZGFL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds2

About N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide

N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 104597142) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
PubChem CID104597142
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN(C)C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-4-9-13(3)10(14)11(2)7-5-6-8-12-11/h1,12H,5-9H2,2-3H3
InChIKeyMTOIWBFMWAZGFL-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

N-(5-hydroxypentyl)-N,2-dimethylpiperidine-2-carboxamide
CID 107199154
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
CID 104596127
N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
CID 115747592
N,2-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 113368607
N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
CID 104596505
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
N,2-dimethyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 113368557
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
CID 113430849
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167
2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
CID 130847325
N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103822189

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide (CID 104597142) is N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide is C#CCN(C)C(=O)C1(C)CCCCN1.
What is the InChIKey of N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is MTOIWBFMWAZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9-13(3)10(14)11(2)7-5-6-8-12-11/h1,12H,5-9H2,2-3H3.
What are the key properties of N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide?
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 104597142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).