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

C22H27N3O — CID 67370445

IUPAC1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-24-11-13-25(14-12-24)22(26)16-23-21-15-20(21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20-21,23H,11-16H2,1H3/t20-,21+/m1/s1
InChIKeyMRCTVBITZXGRNL-RTWAWAEBSA-N
MW349.48 g/mol
LogP2.57
Rot. Bonds5

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

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone (PubChem CID 67370445) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone
PubChem CID67370445
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-24-11-13-25(14-12-24)22(26)16-23-21-15-20(21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20-21,23H,11-16H2,1H3/t20-,21+/m1/s1
InChIKeyMRCTVBITZXGRNL-RTWAWAEBSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone with MolForge

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Related Compounds

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Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
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1-Piperidineacetamide, N-(diphenylmethyl)-
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3,6-Dibenzyl-2,5-dioxopiperazine
CID 16829
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
N-(1-benzyl-2-phenylethyl)acetamide
CID 744355
1-Acetyl-4-(2,2-diphenylethyl)piperazine
CID 756869
N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
CID 1875372
N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 4883439

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone (CID 67370445) is 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone is CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone?
The InChIKey is MRCTVBITZXGRNL-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24-11-13-25(14-12-24)22(26)16-23-21-15-20(21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20-21,23H,11-16H2,1H3/t20-,21+/m1/s1.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylphenyl)cyclopropyl]amino]ethanone has a molecular weight of 349.48 g/mol, XLogP of 2.57, 5 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-(4-phenylphenyl)cyclopropyl]amino]ethanone is sourced from PubChem (CID 67370445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).