1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone

C17H25N3O — CID 67378515

IUPAC1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
SMILESCCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-19-8-10-20(11-9-19)17(21)13-18-16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyNSALIPKFTPKQSE-CVEARBPZSA-N
MW287.41 g/mol
LogP1.30
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone

1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone (PubChem CID 67378515) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
PubChem CID67378515
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
SMILESCCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-19-8-10-20(11-9-19)17(21)13-18-16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyNSALIPKFTPKQSE-CVEARBPZSA-N
XLogP1.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone (CID 67378515) is 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone is CCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The InChIKey is NSALIPKFTPKQSE-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-19-8-10-20(11-9-19)17(21)13-18-16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone is sourced from PubChem (CID 67378515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).