2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide

C14H22N4O2 — CID 30958664

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12-3-4-12/h1,12H,3-11H2,(H,15,19)(H,16,20)
InChIKeyMIJCFWBBTJTNIY-UHFFFAOYSA-N
MW278.36 g/mol
LogP-1.37
Rot. Bonds6

About 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 30958664) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
PubChem CID30958664
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12-3-4-12/h1,12H,3-11H2,(H,15,19)(H,16,20)
InChIKeyMIJCFWBBTJTNIY-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709
N,N-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-1-carboxamide
CID 37205891
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
2-(4-tert-butylazepan-1-yl)-N-prop-2-ynylacetamide
CID 78967379
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide (CID 30958664) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is MIJCFWBBTJTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12-3-4-12/h1,12H,3-11H2,(H,15,19)(H,16,20).
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 278.36 g/mol, XLogP of -1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 30958664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).