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

C16H23N3O — CID 67379019

IUPAC1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)12-17-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3/t14-,15+/m1/s1
InChIKeySKTQIQYMZNOSSS-CABCVRRESA-N
MW273.38 g/mol
LogP0.91
Rot. Bonds4

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

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone (PubChem CID 67379019) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
PubChem CID67379019
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)12-17-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3/t14-,15+/m1/s1
InChIKeySKTQIQYMZNOSSS-CABCVRRESA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone (CID 67379019) is 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone is CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
The InChIKey is SKTQIQYMZNOSSS-CABCVRRESA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)12-17-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone has a molecular weight of 273.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone is sourced from PubChem (CID 67379019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).