N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide

C12H20N4O2 — CID 37205891

IUPACN,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide
SMILESC#CCNC(=O)CN1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H20N4O2/c1-4-5-13-11(17)10-15-6-8-16(9-7-15)12(18)14(2)3/h1H,5-10H2,2-3H3,(H,13,17)
InChIKeyVMVZBHHSTXLIFC-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.96
Rot. Bonds3

About N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide

N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide (PubChem CID 37205891) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide
PubChem CID37205891
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide
SMILESC#CCNC(=O)CN1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H20N4O2/c1-4-5-13-11(17)10-15-6-8-16(9-7-15)12(18)14(2)3/h1H,5-10H2,2-3H3,(H,13,17)
InChIKeyVMVZBHHSTXLIFC-UHFFFAOYSA-N
XLogP-0.96
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
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
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
N-(4-fluorophenyl)-N-methyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 91651326
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709
2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
2-(4-tert-butylazepan-1-yl)-N-prop-2-ynylacetamide
CID 78967379
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
2-(1,3-dihydroisoindol-2-yl)-N-prop-2-ynylacetamide
CID 78946000
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 78870930

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide (CID 37205891) is N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide is C#CCNC(=O)CN1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is VMVZBHHSTXLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-5-13-11(17)10-15-6-8-16(9-7-15)12(18)14(2)3/h1H,5-10H2,2-3H3,(H,13,17).
What are the key properties of N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 37205891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).