N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide

C12H19N3O2 — CID 42542709

IUPACN-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
SMILESC#CCNC(=O)CN1CCC(C(=O)NC)CC1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-11(16)9-15-7-4-10(5-8-15)12(17)13-2/h1,10H,4-9H2,2H3,(H,13,17)(H,14,16)
InChIKeyGPJFZIXFQMONBI-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.81
Rot. Bonds4

About N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide

N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide (PubChem CID 42542709) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
PubChem CID42542709
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
SMILESC#CCNC(=O)CN1CCC(C(=O)NC)CC1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-11(16)9-15-7-4-10(5-8-15)12(17)13-2/h1,10H,4-9H2,2H3,(H,13,17)(H,14,16)
InChIKeyGPJFZIXFQMONBI-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
2-(4-tert-butylazepan-1-yl)-N-prop-2-ynylacetamide
CID 78967379
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
CID 42542896
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide (CID 42542709) is N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide is C#CCNC(=O)CN1CCC(C(=O)NC)CC1.
What is the InChIKey of N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is GPJFZIXFQMONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-14-11(16)9-15-7-4-10(5-8-15)12(17)13-2/h1,10H,4-9H2,2H3,(H,13,17)(H,14,16).
What are the key properties of N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).