2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

C13H21N3O — CID 54873746

IUPAC2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H21N3O/c1-2-5-15-6-8-16(9-7-15)13(17)11-14-10-12-3-4-12/h1,12,14H,3-11H2
InChIKeyLREVHCJOOHCBJA-UHFFFAOYSA-N
MW235.33 g/mol
LogP-0.24
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (PubChem CID 54873746) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
PubChem CID54873746
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H21N3O/c1-2-5-15-6-8-16(9-7-15)13(17)11-14-10-12-3-4-12/h1,12,14H,3-11H2
InChIKeyLREVHCJOOHCBJA-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.24
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-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (CID 54873746) is 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is C#CCN1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The InChIKey is LREVHCJOOHCBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-5-15-6-8-16(9-7-15)13(17)11-14-10-12-3-4-12/h1,12,14H,3-11H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is sourced from PubChem (CID 54873746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).