2-methyl-N-prop-2-ynylpiperidine-4-carboxamide

C10H16N2O — CID 106738666

IUPAC2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C10H16N2O/c1-3-5-12-10(13)9-4-6-11-8(2)7-9/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeyUAIZCWJSJGFDTH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.12
Rot. Bonds2

About 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide

2-methyl-N-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 106738666) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
PubChem CID106738666
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C10H16N2O/c1-3-5-12-10(13)9-4-6-11-8(2)7-9/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeyUAIZCWJSJGFDTH-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.12
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

N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide (CID 106738666) is 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide is C#CCNC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is UAIZCWJSJGFDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-12-10(13)9-4-6-11-8(2)7-9/h1,8-9,11H,4-7H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide?
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 106738666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).