ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate

C13H23N3O3 — CID 54916262

IUPACethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)10-14-9-11-3-4-11/h11,14H,2-10H2,1H3
InChIKeySAUVGPHBPREOMV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.29
Rot. Bonds5

About ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate (PubChem CID 54916262) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
PubChem CID54916262
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)10-14-9-11-3-4-11/h11,14H,2-10H2,1H3
InChIKeySAUVGPHBPREOMV-UHFFFAOYSA-N
XLogP0.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate (CID 54916262) is ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is SAUVGPHBPREOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-13(18)16-7-5-15(6-8-16)12(17)10-14-9-11-3-4-11/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 54916262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).