[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone

C15H20N2O — CID 81426595

IUPAC[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESC[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CCN1
InChIInChI=1S/C15H20N2O/c1-12-11-17(10-9-16-12)14(18)15(7-8-15)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3/t12-/m1/s1
InChIKeyYIFNIEUAJORAAN-GFCCVEGCSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds2

About [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone

[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 81426595) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID81426595
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESC[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CCN1
InChIInChI=1S/C15H20N2O/c1-12-11-17(10-9-16-12)14(18)15(7-8-15)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3/t12-/m1/s1
InChIKeyYIFNIEUAJORAAN-GFCCVEGCSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 82249953
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[1-(3-fluorophenyl)cyclobutyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576490
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
CID 115734108
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 166176518
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone (CID 81426595) is [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone is C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is YIFNIEUAJORAAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-11-17(10-9-16-12)14(18)15(7-8-15)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 81426595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).