[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C22H27N3O2 — CID 99932161

IUPAC[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@]2(C(=O)N3CCN(c4ccncc4)CC3)CC2(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-21(2)16-22(21,17-4-6-19(27-3)7-5-17)20(26)25-14-12-24(13-15-25)18-8-10-23-11-9-18/h4-11H,12-16H2,1-3H3/t22-/m0/s1
InChIKeyWRTUUQUWFHSKMP-QFIPXVFZSA-N
MW365.48 g/mol
LogP3.11
Rot. Bonds4

About [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 99932161) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID99932161
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@]2(C(=O)N3CCN(c4ccncc4)CC3)CC2(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-21(2)16-22(21,17-4-6-19(27-3)7-5-17)20(26)25-14-12-24(13-15-25)18-8-10-23-11-9-18/h4-11H,12-16H2,1-3H3/t22-/m0/s1
InChIKeyWRTUUQUWFHSKMP-QFIPXVFZSA-N
XLogP3.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 99927120
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(2,2-dichloro-1-methylcyclopropyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43020731
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid
CID 125178079
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625
(4,6-dimethoxypyrimidin-2-yl)-(4-pyridin-4-yl-1,4-diazepan-1-yl)methanone
CID 154781016
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 99932161) is [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is COc1ccc([C@]2(C(=O)N3CCN(c4ccncc4)CC3)CC2(C)C)cc1.
What is the InChIKey of [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is WRTUUQUWFHSKMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-21(2)16-22(21,17-4-6-19(27-3)7-5-17)20(26)25-14-12-24(13-15-25)18-8-10-23-11-9-18/h4-11H,12-16H2,1-3H3/t22-/m0/s1.
What are the key properties of [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 99932161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).